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

Systemtic Name: ethyl 4-[3-[(2-chlorophenyl)methylcarbamoyl]piperidin-1-yl]sulfonyl-2,5-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 4-[[3-[(2-chlorophenyl)methylcarbamoyl]-1-piperidyl]sulfonyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 4-[[3-[[(2-chlorophenyl)methylamino]-oxomethyl]-1-piperidinyl]sulfonyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-[(2-chlorophenyl)methylcarbamoyl]piperidin-1-yl]sulfonyl-2,5-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 4-[3-[(2-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=CC=C3Cl)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1S(=O)(=O)N2CCCC(C2)C(=O)NCC3=CC=CC=C3Cl)C)C

InChI

InChI=1S/C22H28ClN3O5S/c1-4-31-22(28)19-14(2)25-15(3)20(19)32(29,30)26-11-7-9-17(13-26)21(27)24-12-16-8-5-6-10-18(16)23/h5-6,8,10,17,25H,4,7,9,11-13H2,1-3H3,(H,24,27)