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

Systemtic Name: ethyl 2,5-dimethyl-4-[3-[(phenylmethyl)carbamoyl]piperidin-1-yl]sulfonyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 4-[[3-(benzylcarbamoyl)-1-piperidyl]sulfonyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-4-[[3-[oxo-[(phenylmethyl)amino]methyl]-1-piperidinyl]sulfonyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(benzylcarbamoyl)piperidin-1-yl]sulfonyl-2,5-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 4-[3-(benzylcarbamoyl)piperidino]sulfonyl-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C22H29N3O5S MolecularWeight: 447.54776

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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=C3)C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O5S/c1-4-30-22(27)19-15(2)24-16(3)20(19)31(28,29)25-12-8-11-18(14-25)21(26)23-13-17-9-6-5-7-10-17/h5-7,9-10,18,24H,4,8,11-14H2,1-3H3,(H,23,26)