methyl 1-[4-[5-(4-chlorophenyl)-1H-pyrrol-2-yl]piperidin-1-yl]sulfonylpiperidine-2-carboxylate

Systemtic Name: methyl 1-[4-[5-(4-chlorophenyl)-1H-pyrrol-2-yl]piperidin-1-yl]sulfonylpiperidine-2-carboxylate Openeye Name: methyl 1-[[4-[5-(4-chlorophenyl)-1H-pyrrol-2-yl]-1-piperidyl]sulfonyl]piperidine-2-carboxylate CAS Name: 1-[[4-[5-(4-chlorophenyl)-1H-pyrrol-2-yl]-1-piperidinyl]sulfonyl]-2-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[4-[5-(4-chlorophenyl)-1H-pyrrol-2-yl]piperidin-1-yl]sulfonylpiperidine-2-carboxylate Traditional Name: 1-[4-[5-(4-chlorophenyl)-1H-pyrrol-2-yl]piperidino]sulfonylpipecolinic acid methyl ester Formula: C22H28ClN3O4S MolecularWeight: 465.99342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCCN1S(=O)(=O)N2CCC(CC2)C3=CC=C(N3)C4=CC=C(C=C4)Cl

Isomeric SMILES

COC(=O)C1CCCCN1S(=O)(=O)N2CCC(CC2)C3=CC=C(N3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H28ClN3O4S/c1-30-22(27)21-4-2-3-13-26(21)31(28,29)25-14-11-17(12-15-25)20-10-9-19(24-20)16-5-7-18(23)8-6-16/h5-10,17,21,24H,2-4,11-15H2,1H3