[2-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl] 4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate

Systemtic Name: [2-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl] 4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate Openeye Name: [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxo-ethyl] 4-[(3,5-dimethyl-1-piperidyl)sulfonyl]benzoate CAS Name: 4-[(3,5-dimethyl-1-piperidinyl)sulfonyl]benzoic acid [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 4-(3,5-dimethylpiperidino)sulfonylbenzoic acid [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-ethyl] ester Formula: C24H30N2O6S MolecularWeight: 474.5698

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)C3=C(C(=C(N3)C)C(=O)C)C)C

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)C3=C(C(=C(N3)C)C(=O)C)C)C

InChI

InChI=1S/C24H30N2O6S/c1-14-10-15(2)12-26(11-14)33(30,31)20-8-6-19(7-9-20)24(29)32-13-21(28)23-16(3)22(18(5)27)17(4)25-23/h6-9,14-15,25H,10-13H2,1-5H3