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

Systemtic Name: 2-[2-oxidanylidene-5-phenyl-3-[(phenylmethyl)sulfonylamino]-3H-1,4-benzodiazepin-1-yl]ethanoic acid Openeye Name: 2-[3-(benzylsulfonylamino)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]acetic acid CAS Name: 2-[2-oxo-5-phenyl-3-[(phenylmethyl)sulfonylamino]-3H-1,4-benzodiazepin-1-yl]acetic acid IUPAC Name: 2-[3-(benzylsulfonylamino)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]acetic acid Traditional Name: 2-[3-(benzylsulfonylamino)-2-keto-5-phenyl-3H-1,4-benzodiazepin-1-yl]acetic acid Formula: C24H21N3O5S MolecularWeight: 463.50564

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CS(=O)(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)C4=CC=CC=C4)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CS(=O)(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)C4=CC=CC=C4)CC(=O)O

InChI

InChI=1S/C24H21N3O5S/c28-21(29)15-27-20-14-8-7-13-19(20)22(18-11-5-2-6-12-18)25-23(24(27)30)26-33(31,32)16-17-9-3-1-4-10-17/h1-14,23,26H,15-16H2,(H,28,29)