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

Systemtic Name: 4-[5-(3-aminophenyl)-3-[(4-methylphenyl)sulfonylamino]-2-oxidanylidene-3H-1,4-benzodiazepin-1-yl]butanoic acid Openeye Name: 4-[5-(3-aminophenyl)-2-oxo-3-(p-tolylsulfonylamino)-3H-1,4-benzodiazepin-1-yl]butanoic acid CAS Name: 4-[5-(3-aminophenyl)-3-[(4-methylphenyl)sulfonylamino]-2-oxo-3H-1,4-benzodiazepin-1-yl]butanoic acid IUPAC Name: 4-[5-(3-aminophenyl)-3-[(4-methylphenyl)sulfonylamino]-2-oxo-3H-1,4-benzodiazepin-1-yl]butanoic acid Traditional Name: 4-[5-(3-aminophenyl)-2-keto-3-(tosylamino)-3H-1,4-benzodiazepin-1-yl]butyric acid Formula: C26H26N4O5S MolecularWeight: 506.57344

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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)N)CCCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C26H26N4O5S/c1-17-11-13-20(14-12-17)36(34,35)29-25-26(33)30(15-5-10-23(31)32)22-9-3-2-8-21(22)24(28-25)18-6-4-7-19(27)16-18/h2-4,6-9,11-14,16,25,29H,5,10,15,27H2,1H3,(H,31,32)