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Summary

Name:	5-bromo-N-(2,2-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-2-methoxybenzene-1-sulfonamide
Formula:	C17 H17 Br N2 O5 S
Formal charge:	0
Formula weight:	441.296 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	5-bromo-N-(2,2-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-2-methoxybenzene-1-sulfonamide
OpenEye OEToolkits	2.0.6	5-bromanyl-~{N}-(2,2-dimethyl-3-oxidanylidene-4~{H}-1,4-benzoxazin-7-yl)-2-methoxy-benzenesulfonamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	COc1c(cc(cc1)Br)S(Nc3cc2OC(C)(C)C(=O)Nc2cc3)(=O)=O
InChI	InChI	1.03	InChI=1S/C17H17BrN2O5S/c1-17(2)16(21)19-12-6-5-11(9-14(12)25-17)20-26(22,23)15-8-10(18)4-7-13(15)24-3/h4-9,20H,1-3H3,(H,19,21)
InChIKey	InChI	1.03	DZFJGVOWLQYSOW-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	COc1ccc(Br)cc1[S](=O)(=O)Nc2ccc3NC(=O)C(C)(C)Oc3c2
SMILES	CACTVS	3.385	COc1ccc(Br)cc1[S](=O)(=O)Nc2ccc3NC(=O)C(C)(C)Oc3c2
SMILES_CANONICAL	OpenEye OEToolkits	2.0.6	CC1(C(=O)Nc2ccc(cc2O1)NS(=O)(=O)c3cc(ccc3OC)Br)C
SMILES	OpenEye OEToolkits	2.0.6	CC1(C(=O)Nc2ccc(cc2O1)NS(=O)(=O)c3cc(ccc3OC)Br)C

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