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

Systemtic Name: ethyl 1,2,5-trimethyl-4-[3-[(2-methylphenyl)carbamoyl]piperidin-1-yl]sulfonyl-pyrrole-3-carboxylate Openeye Name: ethyl 1,2,5-trimethyl-4-[[3-(o-tolylcarbamoyl)-1-piperidyl]sulfonyl]pyrrole-3-carboxylate CAS Name: 1,2,5-trimethyl-4-[[3-[(2-methylanilino)-oxomethyl]-1-piperidinyl]sulfonyl]-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1,2,5-trimethyl-4-[3-[(2-methylphenyl)carbamoyl]piperidin-1-yl]sulfonylpyrrole-3-carboxylate Traditional Name: 1,2,5-trimethyl-4-[3-(o-tolylcarbamoyl)piperidino]sulfonyl-pyrrole-3-carboxylic acid ethyl ester Formula: C23H31N3O5S MolecularWeight: 461.57434

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1S(=O)(=O)N2CCCC(C2)C(=O)NC3=CC=CC=C3C)C)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1S(=O)(=O)N2CCCC(C2)C(=O)NC3=CC=CC=C3C)C)C)C

InChI

InChI=1S/C23H31N3O5S/c1-6-31-23(28)20-16(3)25(5)17(4)21(20)32(29,30)26-13-9-11-18(14-26)22(27)24-19-12-8-7-10-15(19)2/h7-8,10,12,18H,6,9,11,13-14H2,1-5H3,(H,24,27)