phenyl 3-azanyl-4-[(phenylmethyl)carbamoylamino]benzenesulfonate

Systemtic Name: phenyl 3-azanyl-4-[(phenylmethyl)carbamoylamino]benzenesulfonate Openeye Name: phenyl 3-amino-4-(benzylcarbamoylamino)benzenesulfonate CAS Name: 3-amino-4-[[oxo-[(phenylmethyl)amino]methyl]amino]benzenesulfonic acid phenyl ester IUPAC Name: phenyl 3-amino-4-(benzylcarbamoylamino)benzenesulfonate Traditional Name: 3-amino-4-(benzylcarbamoylamino)benzenesulfonic acid phenyl ester Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)NC2=C(C=C(C=C2)S(=O)(=O)OC3=CC=CC=C3)N

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)NC2=C(C=C(C=C2)S(=O)(=O)OC3=CC=CC=C3)N

InChI

InChI=1S/C20H19N3O4S/c21-18-13-17(28(25,26)27-16-9-5-2-6-10-16)11-12-19(18)23-20(24)22-14-15-7-3-1-4-8-15/h1-13H,14,21H2,(H2,22,23,24)