methyl 2-[2-oxidanylidene-5-phenyl-3-[(phenylmethyl)sulfonylamino]-3H-1,4-benzodiazepin-1-yl]ethanoate

Systemtic Name: methyl 2-[2-oxidanylidene-5-phenyl-3-[(phenylmethyl)sulfonylamino]-3H-1,4-benzodiazepin-1-yl]ethanoate Openeye Name: methyl 2-[3-(benzylsulfonylamino)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]acetate CAS Name: 2-[2-oxo-5-phenyl-3-[(phenylmethyl)sulfonylamino]-3H-1,4-benzodiazepin-1-yl]acetic acid methyl ester IUPAC Name: methyl 2-[3-(benzylsulfonylamino)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]acetate Traditional Name: 2-[3-(benzylsulfonylamino)-2-keto-5-phenyl-3H-1,4-benzodiazepin-1-yl]acetic acid methyl ester Formula: C25H23N3O5S MolecularWeight: 477.53222

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=CC=CC=C2C(=NC(C1=O)NS(=O)(=O)CC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)CN1C2=CC=CC=C2C(=NC(C1=O)NS(=O)(=O)CC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H23N3O5S/c1-33-22(29)16-28-21-15-9-8-14-20(21)23(19-12-6-3-7-13-19)26-24(25(28)30)27-34(31,32)17-18-10-4-2-5-11-18/h2-15,24,27H,16-17H2,1H3