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

Systemtic Name: ethyl 1,2,5-trimethyl-4-[3-[methyl-(phenylmethyl)carbamoyl]piperidin-1-yl]sulfonyl-pyrrole-3-carboxylate Openeye Name: ethyl 4-[[3-[benzyl(methyl)carbamoyl]-1-piperidyl]sulfonyl]-1,2,5-trimethyl-pyrrole-3-carboxylate CAS Name: 1,2,5-trimethyl-4-[[3-[[methyl-(phenylmethyl)amino]-oxomethyl]-1-piperidinyl]sulfonyl]-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-[benzyl(methyl)carbamoyl]piperidin-1-yl]sulfonyl-1,2,5-trimethylpyrrole-3-carboxylate Traditional Name: 4-[3-[benzyl(methyl)carbamoyl]piperidino]sulfonyl-1,2,5-trimethyl-pyrrole-3-carboxylic acid ethyl ester Formula: C24H33N3O5S MolecularWeight: 475.60092

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1S(=O)(=O)N2CCCC(C2)C(=O)N(C)CC3=CC=CC=C3)C)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1S(=O)(=O)N2CCCC(C2)C(=O)N(C)CC3=CC=CC=C3)C)C)C

InChI

InChI=1S/C24H33N3O5S/c1-6-32-24(29)21-17(2)26(5)18(3)22(21)33(30,31)27-14-10-13-20(16-27)23(28)25(4)15-19-11-8-7-9-12-19/h7-9,11-12,20H,6,10,13-16H2,1-5H3