4-(4-methoxyphenyl)sulfonyl-7-oxidanylidene-1-propan-2-yl-1,4-diazepane-5-carboxylic acid

Systemtic Name: 4-(4-methoxyphenyl)sulfonyl-7-oxidanylidene-1-propan-2-yl-1,4-diazepane-5-carboxylic acid Openeye Name: 1-isopropyl-4-(4-methoxyphenyl)sulfonyl-7-oxo-1,4-diazepane-5-carboxylic acid CAS Name: 4-(4-methoxyphenyl)sulfonyl-7-oxo-1-propan-2-yl-1,4-diazepane-5-carboxylic acid IUPAC Name: 4-(4-methoxyphenyl)sulfonyl-7-oxo-1-propan-2-yl-1,4-diazepane-5-carboxylic acid Traditional Name: 1-isopropyl-7-keto-4-(4-methoxyphenyl)sulfonyl-1,4-diazepane-5-carboxylic acid Formula: C16H22N2O6S MolecularWeight: 370.42068

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCN(C(CC1=O)C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)N1CCN(C(CC1=O)C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C16H22N2O6S/c1-11(2)17-8-9-18(14(16(20)21)10-15(17)19)25(22,23)13-6-4-12(24-3)5-7-13/h4-7,11,14H,8-10H2,1-3H3,(H,20,21)