(phenylmethyl) 4-(4-methoxyphenyl)sulfonyl-7-oxidanylidene-1-propan-2-yl-1,4-diazepane-5-carboxylate

Systemtic Name: (phenylmethyl) 4-(4-methoxyphenyl)sulfonyl-7-oxidanylidene-1-propan-2-yl-1,4-diazepane-5-carboxylate Openeye Name: benzyl 1-isopropyl-4-(4-methoxyphenyl)sulfonyl-7-oxo-1,4-diazepane-5-carboxylate CAS Name: 4-(4-methoxyphenyl)sulfonyl-7-oxo-1-propan-2-yl-1,4-diazepane-5-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(4-methoxyphenyl)sulfonyl-7-oxo-1-propan-2-yl-1,4-diazepane-5-carboxylate Traditional Name: 1-isopropyl-7-keto-4-(4-methoxyphenyl)sulfonyl-1,4-diazepane-5-carboxylic acid benzyl ester Formula: C23H28N2O6S MolecularWeight: 460.54322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCN(C(CC1=O)C(=O)OCC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)N1CCN(C(CC1=O)C(=O)OCC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C23H28N2O6S/c1-17(2)24-13-14-25(32(28,29)20-11-9-19(30-3)10-12-20)21(15-22(24)26)23(27)31-16-18-7-5-4-6-8-18/h4-12,17,21H,13-16H2,1-3H3