1-[3-(3,4-dichlorophenyl)-1-(phenylcarbonyl)piperidin-3-yl]propyl benzenesulfonate

Systemtic Name: 1-[3-(3,4-dichlorophenyl)-1-(phenylcarbonyl)piperidin-3-yl]propyl benzenesulfonate Openeye Name: 1-[1-benzoyl-3-(3,4-dichlorophenyl)-3-piperidyl]propyl benzenesulfonate CAS Name: benzenesulfonic acid 1-[1-benzoyl-3-(3,4-dichlorophenyl)-3-piperidinyl]propyl ester IUPAC Name: 1-[1-benzoyl-3-(3,4-dichlorophenyl)piperidin-3-yl]propyl benzenesulfonate Traditional Name: benzenesulfonic acid 1-[1-benzoyl-3-(3,4-dichlorophenyl)-3-piperidyl]propyl ester Formula: C27H27Cl2NO4S MolecularWeight: 532.47858

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1(CCCN(C1)C(=O)C2=CC=CC=C2)C3=CC(=C(C=C3)Cl)Cl)OS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CCC(C1(CCCN(C1)C(=O)C2=CC=CC=C2)C3=CC(=C(C=C3)Cl)Cl)OS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H27Cl2NO4S/c1-2-25(34-35(32,33)22-12-7-4-8-13-22)27(21-14-15-23(28)24(29)18-21)16-9-17-30(19-27)26(31)20-10-5-3-6-11-20/h3-8,10-15,18,25H,2,9,16-17,19H2,1H3