3-[3-(3,4-dichlorophenyl)-1-(4-iodophenyl)carbonyl-piperidin-3-yl]propyl methanesulfonate

Systemtic Name: 3-[3-(3,4-dichlorophenyl)-1-(4-iodophenyl)carbonyl-piperidin-3-yl]propyl methanesulfonate Openeye Name: 3-[3-(3,4-dichlorophenyl)-1-(4-iodobenzoyl)-3-piperidyl]propyl methanesulfonate CAS Name: methanesulfonic acid 3-[3-(3,4-dichlorophenyl)-1-[(4-iodophenyl)-oxomethyl]-3-piperidinyl]propyl ester IUPAC Name: 3-[3-(3,4-dichlorophenyl)-1-(4-iodobenzoyl)piperidin-3-yl]propyl methanesulfonate Traditional Name: methanesulfonic acid 3-[3-(3,4-dichlorophenyl)-1-(4-iodobenzoyl)-3-piperidyl]propyl ester Formula: C22H24Cl2INO4S MolecularWeight: 596.30573

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCCCC1(CCCN(C1)C(=O)C2=CC=C(C=C2)I)C3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CS(=O)(=O)OCCCC1(CCCN(C1)C(=O)C2=CC=C(C=C2)I)C3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C22H24Cl2INO4S/c1-31(28,29)30-13-3-11-22(17-6-9-19(23)20(24)14-17)10-2-12-26(15-22)21(27)16-4-7-18(25)8-5-16/h4-9,14H,2-3,10-13,15H2,1H3