ethyl 1,2,5-trimethyl-4-[3-(phenylcarbamoyl)piperidin-1-yl]sulfonyl-pyrrole-3-carboxylate

Systemtic Name: ethyl 1,2,5-trimethyl-4-[3-(phenylcarbamoyl)piperidin-1-yl]sulfonyl-pyrrole-3-carboxylate Openeye Name: ethyl 1,2,5-trimethyl-4-[[3-(phenylcarbamoyl)-1-piperidyl]sulfonyl]pyrrole-3-carboxylate CAS Name: 4-[[3-[anilino(oxo)methyl]-1-piperidinyl]sulfonyl]-1,2,5-trimethyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1,2,5-trimethyl-4-[3-(phenylcarbamoyl)piperidin-1-yl]sulfonylpyrrole-3-carboxylate Traditional Name: 1,2,5-trimethyl-4-[3-(phenylcarbamoyl)piperidino]sulfonyl-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(N(C(=C1S(=O)(=O)N2CCCC(C2)C(=O)NC3=CC=CC=C3)C)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1S(=O)(=O)N2CCCC(C2)C(=O)NC3=CC=CC=C3)C)C)C

InChI

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