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

Systemtic Name: ethyl 1,2,5-trimethyl-4-[3-[(3-methylsulfanylphenyl)carbamoyl]piperidin-1-yl]sulfonyl-pyrrole-3-carboxylate Openeye Name: ethyl 1,2,5-trimethyl-4-[[3-[(3-methylsulfanylphenyl)carbamoyl]-1-piperidyl]sulfonyl]pyrrole-3-carboxylate CAS Name: 1,2,5-trimethyl-4-[[3-[[3-(methylthio)anilino]-oxomethyl]-1-piperidinyl]sulfonyl]-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1,2,5-trimethyl-4-[3-[(3-methylsulfanylphenyl)carbamoyl]piperidin-1-yl]sulfonylpyrrole-3-carboxylate Traditional Name: 1,2,5-trimethyl-4-[3-[[3-(methylthio)phenyl]carbamoyl]piperidino]sulfonyl-pyrrole-3-carboxylic acid ethyl ester Formula: C23H31N3O5S2 MolecularWeight: 493.63934

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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=C3)SC)C)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1S(=O)(=O)N2CCCC(C2)C(=O)NC3=CC(=CC=C3)SC)C)C)C

InChI

InChI=1S/C23H31N3O5S2/c1-6-31-23(28)20-15(2)25(4)16(3)21(20)33(29,30)26-12-8-9-17(14-26)22(27)24-18-10-7-11-19(13-18)32-5/h7,10-11,13,17H,6,8-9,12,14H2,1-5H3,(H,24,27)