4-[(4-methoxyphenyl)sulfonylamino]-7-oxidanylidene-1-propan-2-yl-1,4-diazepine-5-carboxylic acid

Systemtic Name: 4-[(4-methoxyphenyl)sulfonylamino]-7-oxidanylidene-1-propan-2-yl-1,4-diazepine-5-carboxylic acid Openeye Name: 1-isopropyl-4-[(4-methoxyphenyl)sulfonylamino]-7-oxo-1,4-diazepine-5-carboxylic acid CAS Name: 4-[(4-methoxyphenyl)sulfonylamino]-7-oxo-1-propan-2-yl-1,4-diazepine-5-carboxylic acid IUPAC Name: 4-[(4-methoxyphenyl)sulfonylamino]-7-oxo-1-propan-2-yl-1,4-diazepine-5-carboxylic acid Traditional Name: 1-isopropyl-7-keto-4-[(4-methoxyphenyl)sulfonylamino]-1,4-diazepine-5-carboxylic acid Formula: C16H19N3O6S MolecularWeight: 381.40356

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=CN(C(=CC1=O)C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)N1C=CN(C(=CC1=O)C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C16H19N3O6S/c1-11(2)18-8-9-19(14(16(21)22)10-15(18)20)17-26(23,24)13-6-4-12(25-3)5-7-13/h4-11,17H,1-3H3,(H,21,22)