4-oxidanylidene-4-[(2-oxidanylidene-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)amino]butane-1-sulfonic acid

Systemtic Name: 4-oxidanylidene-4-[(2-oxidanylidene-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)amino]butane-1-sulfonic acid Openeye Name: 4-oxo-4-[(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)amino]butane-1-sulfonic acid CAS Name: 4-oxo-4-[(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)amino]-1-butanesulfonic acid IUPAC Name: 4-oxo-4-[(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)amino]butane-1-sulfonic acid Traditional Name: 4-keto-4-[(2-keto-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)amino]butane-1-sulfonic acid Formula: C19H19N3O5S MolecularWeight: 401.43626

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(C(=O)NC3=CC=CC=C32)NC(=O)CCCS(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(C(=O)NC3=CC=CC=C32)NC(=O)CCCS(=O)(=O)O

InChI

InChI=1S/C19H19N3O5S/c23-16(11-6-12-28(25,26)27)21-18-19(24)20-15-10-5-4-9-14(15)17(22-18)13-7-2-1-3-8-13/h1-5,7-10,18H,6,11-12H2,(H,20,24)(H,21,23)(H,25,26,27)