phenyl 3-azanyl-4-oxidanylidene-4-phenylazanyl-butane-1-sulfonate

Systemtic Name: phenyl 3-azanyl-4-oxidanylidene-4-phenylazanyl-butane-1-sulfonate Openeye Name: phenyl 3-amino-4-anilino-4-oxo-butane-1-sulfonate CAS Name: 3-amino-4-anilino-4-oxo-1-butanesulfonic acid IUPAC Name: phenyl 3-amino-4-anilino-4-oxobutane-1-sulfonate Traditional Name: 3-amino-4-anilino-4-keto-butane-1-sulfonic acid phenyl ester Formula: C16H18N2O4S MolecularWeight: 334.39012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)C(CCS(=O)(=O)OC2=CC=CC=C2)N

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)C(CCS(=O)(=O)OC2=CC=CC=C2)N

InChI

InChI=1S/C16H18N2O4S/c17-15(16(19)18-13-7-3-1-4-8-13)11-12-23(20,21)22-14-9-5-2-6-10-14/h1-10,15H,11-12,17H2,(H,18,19)