3-[3-(3,4-dichlorophenyl)-1-(phenylcarbonyl)azepan-3-yl]propyl methanesulfonate

Systemtic Name: 3-[3-(3,4-dichlorophenyl)-1-(phenylcarbonyl)azepan-3-yl]propyl methanesulfonate Openeye Name: 3-[1-benzoyl-3-(3,4-dichlorophenyl)azepan-3-yl]propyl methanesulfonate CAS Name: methanesulfonic acid 3-[1-benzoyl-3-(3,4-dichlorophenyl)-3-azepanyl]propyl ester IUPAC Name: 3-[1-benzoyl-3-(3,4-dichlorophenyl)azepan-3-yl]propyl methanesulfonate Traditional Name: methanesulfonic acid 3-[1-benzoyl-3-(3,4-dichlorophenyl)azepan-3-yl]propyl ester Formula: C23H27Cl2NO4S MolecularWeight: 484.43578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27Cl2NO4S/c1-31(28,29)30-15-7-13-23(19-10-11-20(24)21(25)16-19)12-5-6-14-26(17-23)22(27)18-8-3-2-4-9-18/h2-4,8-11,16H,5-7,12-15,17H2,1H3