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

Systemtic Name: ethyl 4-[3-[(4-chlorophenyl)methylcarbamoyl]piperidin-1-yl]sulfonyl-2,5-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 4-[[3-[(4-chlorophenyl)methylcarbamoyl]-1-piperidyl]sulfonyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 4-[[3-[[(4-chlorophenyl)methylamino]-oxomethyl]-1-piperidinyl]sulfonyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-[(4-chlorophenyl)methylcarbamoyl]piperidin-1-yl]sulfonyl-2,5-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 4-[3-[(4-chlorobenzyl)carbamoyl]piperidino]sulfonyl-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C22H28ClN3O5S MolecularWeight: 481.99282

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1S(=O)(=O)N2CCCC(C2)C(=O)NCC3=CC=C(C=C3)Cl)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1S(=O)(=O)N2CCCC(C2)C(=O)NCC3=CC=C(C=C3)Cl)C)C

InChI

InChI=1S/C22H28ClN3O5S/c1-4-31-22(28)19-14(2)25-15(3)20(19)32(29,30)26-11-5-6-17(13-26)21(27)24-12-16-7-9-18(23)10-8-16/h7-10,17,25H,4-6,11-13H2,1-3H3,(H,24,27)