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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)C4=CC=CC=C4)CC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)C4=CC=CC=C4)CC(=O)O

InChI

InChI=1S/C24H21N3O5S/c1-16-11-13-18(14-12-16)33(31,32)26-23-24(30)27(15-21(28)29)20-10-6-5-9-19(20)22(25-23)17-7-3-2-4-8-17/h2-14,23,26H,15H2,1H3,(H,28,29)