methyl (E)-4-oxidanylidene-4-[(phenylmethyl)amino]-3-[(4-sulfamoylphenyl)amino]but-2-enoate

Systemtic Name: methyl (E)-4-oxidanylidene-4-[(phenylmethyl)amino]-3-[(4-sulfamoylphenyl)amino]but-2-enoate Openeye Name: methyl (E)-4-(benzylamino)-4-oxo-3-(4-sulfamoylanilino)but-2-enoate CAS Name: (E)-4-oxo-4-[(phenylmethyl)amino]-3-(4-sulfamoylanilino)-2-butenoic acid methyl ester IUPAC Name: methyl (E)-4-(benzylamino)-4-oxo-3-(4-sulfamoylanilino)but-2-enoate Traditional Name: (E)-4-(benzylamino)-4-keto-3-(4-sulfamoylanilino)but-2-enoic acid methyl ester Formula: C18H19N3O5S MolecularWeight: 389.42556

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=C(C(=O)NCC1=CC=CC=C1)NC2=CC=C(C=C2)S(=O)(=O)N

Isomeric SMILES

COC(=O)/C=C(\C(=O)NCC1=CC=CC=C1)/NC2=CC=C(C=C2)S(=O)(=O)N

InChI

InChI=1S/C18H19N3O5S/c1-26-17(22)11-16(18(23)20-12-13-5-3-2-4-6-13)21-14-7-9-15(10-8-14)27(19,24)25/h2-11,21H,12H2,1H3,(H,20,23)(H2,19,24,25)/b16-11+