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

Systemtic Name: ethyl 4-[3-[(4-chlorophenyl)methylcarbamoyl]piperidin-1-yl]sulfonyl-1-ethyl-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: ethyl 4-[[3-[(4-chlorophenyl)methylcarbamoyl]-1-piperidyl]sulfonyl]-1-ethyl-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 4-[[3-[[(4-chlorophenyl)methylamino]-oxomethyl]-1-piperidinyl]sulfonyl]-1-ethyl-2,5-dimethyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-[(4-chlorophenyl)methylcarbamoyl]piperidin-1-yl]sulfonyl-1-ethyl-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 4-[3-[(4-chlorobenzyl)carbamoyl]piperidino]sulfonyl-1-ethyl-2,5-dimethyl-pyrrole-3-carboxylic acid ethyl ester Formula: C24H32ClN3O5S MolecularWeight: 510.04598

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=C1C)S(=O)(=O)N2CCCC(C2)C(=O)NCC3=CC=C(C=C3)Cl)C(=O)OCC)C

Isomeric SMILES

CCN1C(=C(C(=C1C)S(=O)(=O)N2CCCC(C2)C(=O)NCC3=CC=C(C=C3)Cl)C(=O)OCC)C

InChI

InChI=1S/C24H32ClN3O5S/c1-5-28-16(3)21(24(30)33-6-2)22(17(28)4)34(31,32)27-13-7-8-19(15-27)23(29)26-14-18-9-11-20(25)12-10-18/h9-12,19H,5-8,13-15H2,1-4H3,(H,26,29)