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

Systemtic Name: methyl (E)-4-(2-hydroxyethylamino)-4-oxidanylidene-3-[(4-sulfamoylphenyl)amino]but-2-enoate Openeye Name: methyl (E)-4-(2-hydroxyethylamino)-4-oxo-3-(4-sulfamoylanilino)but-2-enoate CAS Name: (E)-4-(2-hydroxyethylamino)-4-oxo-3-(4-sulfamoylanilino)-2-butenoic acid methyl ester IUPAC Name: methyl (E)-4-(2-hydroxyethylamino)-4-oxo-3-(4-sulfamoylanilino)but-2-enoate Traditional Name: (E)-4-(2-hydroxyethylamino)-4-keto-3-(4-sulfamoylanilino)but-2-enoic acid methyl ester Formula: C13H17N3O6S MolecularWeight: 343.35558

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=C(C(=O)NCCO)NC1=CC=C(C=C1)S(=O)(=O)N

Isomeric SMILES

COC(=O)/C=C(\C(=O)NCCO)/NC1=CC=C(C=C1)S(=O)(=O)N

InChI

InChI=1S/C13H17N3O6S/c1-22-12(18)8-11(13(19)15-6-7-17)16-9-2-4-10(5-3-9)23(14,20)21/h2-5,8,16-17H,6-7H2,1H3,(H,15,19)(H2,14,20,21)/b11-8+