[2-[(2-methyl-4-pyrrolidin-1-yl-phenyl)amino]-2-oxidanylidene-ethyl] 5-sulfamoylthiophene-3-carboxylate

Systemtic Name: [2-[(2-methyl-4-pyrrolidin-1-yl-phenyl)amino]-2-oxidanylidene-ethyl] 5-sulfamoylthiophene-3-carboxylate Openeye Name: [2-(2-methyl-4-pyrrolidin-1-yl-anilino)-2-oxo-ethyl] 5-sulfamoylthiophene-3-carboxylate CAS Name: 5-sulfamoyl-3-thiophenecarboxylic acid [2-[2-methyl-4-(1-pyrrolidinyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-4-pyrrolidin-1-ylanilino)-2-oxoethyl] 5-sulfamoylthiophene-3-carboxylate Traditional Name: 5-sulfamoylthiophene-3-carboxylic acid [2-keto-2-(2-methyl-4-pyrrolidino-anilino)ethyl] ester Formula: C18H21N3O5S2 MolecularWeight: 423.50644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CCCC2)NC(=O)COC(=O)C3=CSC(=C3)S(=O)(=O)N

Isomeric SMILES

CC1=C(C=CC(=C1)N2CCCC2)NC(=O)COC(=O)C3=CSC(=C3)S(=O)(=O)N

InChI

InChI=1S/C18H21N3O5S2/c1-12-8-14(21-6-2-3-7-21)4-5-15(12)20-16(22)10-26-18(23)13-9-17(27-11-13)28(19,24)25/h4-5,8-9,11H,2-3,6-7,10H2,1H3,(H,20,22)(H2,19,24,25)