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

Systemtic Name: ethyl 1,2,5-trimethyl-4-[3-[(3-methylphenyl)methylcarbamoyl]piperidin-1-yl]sulfonyl-pyrrole-3-carboxylate Openeye Name: ethyl 1,2,5-trimethyl-4-[[3-(m-tolylmethylcarbamoyl)-1-piperidyl]sulfonyl]pyrrole-3-carboxylate CAS Name: 1,2,5-trimethyl-4-[[3-[[(3-methylphenyl)methylamino]-oxomethyl]-1-piperidinyl]sulfonyl]-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1,2,5-trimethyl-4-[3-[(3-methylphenyl)methylcarbamoyl]piperidin-1-yl]sulfonylpyrrole-3-carboxylate Traditional Name: 1,2,5-trimethyl-4-[3-[(3-methylbenzyl)carbamoyl]piperidino]sulfonyl-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)NCC3=CC=CC(=C3)C)C)C)C

Isomeric SMILES

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

InChI

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