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LS5

Summary
Name:3-{[4-([AMINO(IMINO)METHYL]AMINOSULFONYL)ANILINO]METHYLENE}-2-OXO-2,3-DIHYDRO-1H-INDOLE
Formula:C16 H15 N5 O3 S
Formal charge:0
Formula weight:357.387 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04N-carbamimidoyl-4-{[(Z)-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]amino}benzenesulfonamide
OpenEye OEToolkits1.5.01-[4-[[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]amino]phenyl]sulfonylguanidine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=S(=O)(NC(=[N@H])N)c1ccc(cc1)N/C=C3/c2ccccc2NC3=O
SMILES_CANONICALCACTVS3.341NC(=N)N[S](=O)(=O)c1ccc(N\C=C2/C(=O)Nc3ccccc23)cc1
SMILESCACTVS3.341NC(=N)N[S](=O)(=O)c1ccc(NC=C2C(=O)Nc3ccccc23)cc1
SMILES_CANONICALOpenEye OEToolkits1.5.0c1ccc2c(c1)/C(=C/Nc3ccc(cc3)S(=O)(=O)NC(=N)N)/C(=O)N2
SMILESOpenEye OEToolkits1.5.0c1ccc2c(c1)C(=CNc3ccc(cc3)S(=O)(=O)NC(=N)N)C(=O)N2
InChIInChI1.03InChI=1S/C16H15N5O3S/c17-16(18)21-25(23,24)11-7-5-10(6-8-11)19-9-13-12-3-1-2-4-14(12)20-15(13)22/h1-9,19H,(H,20,22)(H4,17,18,21)/b13-9-
InChIKeyInChI1.03DMCRNUMVSATRTP-LCYFTJDESA-N

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건을2024-07-10부터공개중

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