(3-azanyl-4-oxidanylidene-4-phenylazanyl-butyl) benzenesulfonate

Systemtic Name: (3-azanyl-4-oxidanylidene-4-phenylazanyl-butyl) benzenesulfonate Openeye Name: (3-amino-4-anilino-4-oxo-butyl) benzenesulfonate CAS Name: benzenesulfonic acid (3-amino-4-anilino-4-oxobutyl) ester IUPAC Name: (3-amino-4-anilino-4-oxobutyl) benzenesulfonate Traditional Name: benzenesulfonic acid (3-amino-4-anilino-4-keto-butyl) ester Formula: C16H18N2O4S MolecularWeight: 334.39012

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)C(CCOS(=O)(=O)C2=CC=CC=C2)N

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)C(CCOS(=O)(=O)C2=CC=CC=C2)N

InChI

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