[2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate

Systemtic Name: [2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate Openeye Name: [2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate CAS Name: 1-(4-chlorophenyl)sulfonyl-3-piperidinecarboxylic acid [2-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate Traditional Name: 1-(4-chlorophenyl)sulfonylnipecotic acid [2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C23H27ClN2O5S MolecularWeight: 478.98888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C(=O)COC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)C(=O)COC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H27ClN2O5S/c1-15-12-21(16(2)26(15)19-7-8-19)22(27)14-31-23(28)17-4-3-11-25(13-17)32(29,30)20-9-5-18(24)6-10-20/h5-6,9-10,12,17,19H,3-4,7-8,11,13-14H2,1-2H3