1H-benzimidazol-2-yl-[3-(3,4-dichlorophenyl)-2-ethyl-2-piperidin-1-yl-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methanone; methanesulfonate

Systemtic Name: 1H-benzimidazol-2-yl-[3-(3,4-dichlorophenyl)-2-ethyl-2-piperidin-1-yl-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methanone; methanesulfonate Openeye Name: 1H-benzimidazol-2-yl-[3-(3,4-dichlorophenyl)-2-ethyl-2-(1-piperidyl)-1-(2-pyridylmethyl)pyrrolidin-3-yl]methanone; methanesulfonate CAS Name: 1H-benzimidazol-2-yl-[3-(3,4-dichlorophenyl)-2-ethyl-2-(1-piperidinyl)-1-(2-pyridinylmethyl)-3-pyrrolidinyl]methanone; methanesulfonate IUPAC Name: 1H-benzimidazol-2-yl-[3-(3,4-dichlorophenyl)-2-ethyl-2-piperidin-1-yl-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methanone; methanesulfonate Traditional Name: 1H-benzimidazol-2-yl-[3-(3,4-dichlorophenyl)-2-ethyl-2-piperidino-1-(2-pyridylmethyl)pyrrolidin-3-yl]methanone mesylate Formula: C32H36Cl2N5O4S- MolecularWeight: 657.63034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(CCN1CC2=CC=CC=N2)(C3=CC(=C(C=C3)Cl)Cl)C(=O)C4=NC5=CC=CC=C5N4)N6CCCCC6.CS(=O)(=O)[O-]

Isomeric SMILES

CCC1(C(CCN1CC2=CC=CC=N2)(C3=CC(=C(C=C3)Cl)Cl)C(=O)C4=NC5=CC=CC=C5N4)N6CCCCC6.CS(=O)(=O)[O-]

InChI

InChI=1S/C31H33Cl2N5O.CH4O3S/c1-2-31(37-17-8-3-9-18-37)30(22-13-14-24(32)25(33)20-22,15-19-38(31)21-23-10-6-7-16-34-23)28(39)29-35-26-11-4-5-12-27(26)36-29;1-5(2,3)4/h4-7,10-14,16,20H,2-3,8-9,15,17-19,21H2,1H3,(H,35,36);1H3,(H,2,3,4)/p-1