[2-(1-methylpyrrol-2-yl)-2-oxidanylidene-ethyl] 4-(4-methylpiperidin-1-yl)sulfonylbenzoate

Systemtic Name: [2-(1-methylpyrrol-2-yl)-2-oxidanylidene-ethyl] 4-(4-methylpiperidin-1-yl)sulfonylbenzoate Openeye Name: [2-(1-methylpyrrol-2-yl)-2-oxo-ethyl] 4-[(4-methyl-1-piperidyl)sulfonyl]benzoate CAS Name: 4-[(4-methyl-1-piperidinyl)sulfonyl]benzoic acid [2-(1-methyl-2-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(1-methylpyrrol-2-yl)-2-oxoethyl] 4-(4-methylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 4-(4-methylpiperidino)sulfonylbenzoic acid [2-keto-2-(1-methylpyrrol-2-yl)ethyl] ester Formula: C20H24N2O5S MolecularWeight: 404.47996

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)C3=CC=CN3C

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)C3=CC=CN3C

InChI

InChI=1S/C20H24N2O5S/c1-15-9-12-22(13-10-15)28(25,26)17-7-5-16(6-8-17)20(24)27-14-19(23)18-4-3-11-21(18)2/h3-8,11,15H,9-10,12-14H2,1-2H3