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

Systemtic Name: ethyl 1-ethyl-2,5-dimethyl-4-[3-[(3-methylsulfanylphenyl)carbamoyl]piperidin-1-yl]sulfonyl-pyrrole-3-carboxylate Openeye Name: ethyl 1-ethyl-2,5-dimethyl-4-[[3-[(3-methylsulfanylphenyl)carbamoyl]-1-piperidyl]sulfonyl]pyrrole-3-carboxylate CAS Name: 1-ethyl-2,5-dimethyl-4-[[3-[[3-(methylthio)anilino]-oxomethyl]-1-piperidinyl]sulfonyl]-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-2,5-dimethyl-4-[3-[(3-methylsulfanylphenyl)carbamoyl]piperidin-1-yl]sulfonylpyrrole-3-carboxylate Traditional Name: 1-ethyl-2,5-dimethyl-4-[3-[[3-(methylthio)phenyl]carbamoyl]piperidino]sulfonyl-pyrrole-3-carboxylic acid ethyl ester Formula: C24H33N3O5S2 MolecularWeight: 507.66592

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=C1C)S(=O)(=O)N2CCCC(C2)C(=O)NC3=CC(=CC=C3)SC)C(=O)OCC)C

Isomeric SMILES

CCN1C(=C(C(=C1C)S(=O)(=O)N2CCCC(C2)C(=O)NC3=CC(=CC=C3)SC)C(=O)OCC)C

InChI

InChI=1S/C24H33N3O5S2/c1-6-27-16(3)21(24(29)32-7-2)22(17(27)4)34(30,31)26-13-9-10-18(15-26)23(28)25-19-11-8-12-20(14-19)33-5/h8,11-12,14,18H,6-7,9-10,13,15H2,1-5H3,(H,25,28)