ethyl 2,5-dimethyl-4-[3-[(2-methylphenyl)carbamoyl]piperidin-1-yl]sulfonyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2,5-dimethyl-4-[3-[(2-methylphenyl)carbamoyl]piperidin-1-yl]sulfonyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,5-dimethyl-4-[[3-(o-tolylcarbamoyl)-1-piperidyl]sulfonyl]-1H-pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-4-[[3-[(2-methylanilino)-oxomethyl]-1-piperidinyl]sulfonyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,5-dimethyl-4-[3-[(2-methylphenyl)carbamoyl]piperidin-1-yl]sulfonyl-1H-pyrrole-3-carboxylate Traditional Name: 2,5-dimethyl-4-[3-(o-tolylcarbamoyl)piperidino]sulfonyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C22H29N3O5S MolecularWeight: 447.54776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1S(=O)(=O)N2CCCC(C2)C(=O)NC3=CC=CC=C3C)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1S(=O)(=O)N2CCCC(C2)C(=O)NC3=CC=CC=C3C)C)C

InChI

InChI=1S/C22H29N3O5S/c1-5-30-22(27)19-15(3)23-16(4)20(19)31(28,29)25-12-8-10-17(13-25)21(26)24-18-11-7-6-9-14(18)2/h6-7,9,11,17,23H,5,8,10,12-13H2,1-4H3,(H,24,26)