[2-[(2-methylphenyl)methylamino]-2-oxidanylidene-ethyl] 3-pyrrolidin-1-ylsulfonylthiophene-2-carboxylate

Systemtic Name: [2-[(2-methylphenyl)methylamino]-2-oxidanylidene-ethyl] 3-pyrrolidin-1-ylsulfonylthiophene-2-carboxylate Openeye Name: [2-(o-tolylmethylamino)-2-oxo-ethyl] 3-pyrrolidin-1-ylsulfonylthiophene-2-carboxylate CAS Name: 3-(1-pyrrolidinylsulfonyl)-2-thiophenecarboxylic acid [2-[(2-methylphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(2-methylphenyl)methylamino]-2-oxoethyl] 3-pyrrolidin-1-ylsulfonylthiophene-2-carboxylate Traditional Name: 3-pyrrolidinosulfonylthiophene-2-carboxylic acid [2-keto-2-[(2-methylbenzyl)amino]ethyl] ester Formula: C19H22N2O5S2 MolecularWeight: 422.51838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC(=O)COC(=O)C2=C(C=CS2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC1=CC=CC=C1CNC(=O)COC(=O)C2=C(C=CS2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C19H22N2O5S2/c1-14-6-2-3-7-15(14)12-20-17(22)13-26-19(23)18-16(8-11-27-18)28(24,25)21-9-4-5-10-21/h2-3,6-8,11H,4-5,9-10,12-13H2,1H3,(H,20,22)