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2C7

Summary
Name:2-(cycloheptylmethyl)-1,1-dioxido-1-benzothiophen-6-yl sulfamate
Formula:C16 H21 N O5 S2
Formal charge:0
Formula weight:371.472 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.042-(cycloheptylmethyl)-1,1-dioxido-1-benzothiophen-6-yl sulfamate
OpenEye OEToolkits1.5.0[2-(cycloheptylmethyl)-1,1-dioxo-1-benzothiophen-6-yl] sulfamate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=S(=O)(Oc1ccc2c(c1)S(=O)(=O)C(=C2)CC3CCCCCC3)N
SMILES_CANONICALCACTVS3.341N[S](=O)(=O)Oc1ccc2C=C(CC3CCCCCC3)[S](=O)(=O)c2c1
SMILESCACTVS3.341N[S](=O)(=O)Oc1ccc2C=C(CC3CCCCCC3)[S](=O)(=O)c2c1
SMILES_CANONICALOpenEye OEToolkits1.5.0c1cc2c(cc1OS(=O)(=O)N)S(=O)(=O)C(=C2)CC3CCCCCC3
SMILESOpenEye OEToolkits1.5.0c1cc2c(cc1OS(=O)(=O)N)S(=O)(=O)C(=C2)CC3CCCCCC3
InChIInChI1.03InChI=1S/C16H21NO5S2/c17-24(20,21)22-14-8-7-13-10-15(23(18,19)16(13)11-14)9-12-5-3-1-2-4-6-12/h7-8,10-12H,1-6,9H2,(H2,17,20,21)
InChIKeyInChI1.03BIASYWBGUYOWJR-UHFFFAOYSA-N

219869

PDB entries from 2024-05-15

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