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

Systemtic Name: [2-[(2-methyl-4-pyrrolidin-1-yl-phenyl)amino]-2-oxidanylidene-ethyl] 5-[2-(methylsulfonylamino)ethyl]thiophene-2-carboxylate Openeye Name: [2-(2-methyl-4-pyrrolidin-1-yl-anilino)-2-oxo-ethyl] 5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxylate CAS Name: 5-[2-(methanesulfonamido)ethyl]-2-thiophenecarboxylic acid [2-[2-methyl-4-(1-pyrrolidinyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-4-pyrrolidin-1-ylanilino)-2-oxoethyl] 5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxylate Traditional Name: 5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxylic acid [2-keto-2-(2-methyl-4-pyrrolidino-anilino)ethyl] ester Formula: C21H27N3O5S2 MolecularWeight: 465.58618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CCCC2)NC(=O)COC(=O)C3=CC=C(S3)CCNS(=O)(=O)C

Isomeric SMILES

CC1=C(C=CC(=C1)N2CCCC2)NC(=O)COC(=O)C3=CC=C(S3)CCNS(=O)(=O)C

InChI

InChI=1S/C21H27N3O5S2/c1-15-13-16(24-11-3-4-12-24)5-7-18(15)23-20(25)14-29-21(26)19-8-6-17(30-19)9-10-22-31(2,27)28/h5-8,13,22H,3-4,9-12,14H2,1-2H3,(H,23,25)