[1-[1-(4-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]-1-oxidanylidene-propan-2-yl] 4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate

Systemtic Name: [1-[1-(4-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]-1-oxidanylidene-propan-2-yl] 4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate Openeye Name: [2-[1-(4-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]-1-methyl-2-oxo-ethyl] 4-[(3,5-dimethyl-1-piperidyl)sulfonyl]benzoate CAS Name: 4-[(3,5-dimethyl-1-piperidinyl)sulfonyl]benzoic acid [1-[1-(4-chlorophenyl)-2,5-dimethyl-3-pyrrolyl]-1-oxopropan-2-yl] ester IUPAC Name: [1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-1-oxopropan-2-yl] 4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 4-(3,5-dimethylpiperidino)sulfonylbenzoic acid [2-[1-(4-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-1-methyl-ethyl] ester Formula: C29H33ClN2O5S MolecularWeight: 557.10072

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OC(C)C(=O)C3=C(N(C(=C3)C)C4=CC=C(C=C4)Cl)C)C

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OC(C)C(=O)C3=C(N(C(=C3)C)C4=CC=C(C=C4)Cl)C)C

InChI

InChI=1S/C29H33ClN2O5S/c1-18-14-19(2)17-31(16-18)38(35,36)26-12-6-23(7-13-26)29(34)37-22(5)28(33)27-15-20(3)32(21(27)4)25-10-8-24(30)9-11-25/h6-13,15,18-19,22H,14,16-17H2,1-5H3