5-methylsulfonyl-1-[1-[(3S)-3-(4-methylsulfonylphenyl)-3-phenyl-propyl]piperidin-4-yl]benzimidazole hydrochloride

Systemtic Name: 5-methylsulfonyl-1-[1-[(3S)-3-(4-methylsulfonylphenyl)-3-phenyl-propyl]piperidin-4-yl]benzimidazole hydrochloride Openeye Name: 5-methylsulfonyl-1-[1-[(3S)-3-(4-methylsulfonylphenyl)-3-phenyl-propyl]-4-piperidyl]benzimidazole hydrochloride CAS Name: 5-methylsulfonyl-1-[1-[(3S)-3-(4-methylsulfonylphenyl)-3-phenylpropyl]-4-piperidinyl]benzimidazole hydrochloride IUPAC Name: 5-methylsulfonyl-1-[1-[(3S)-3-(4-methylsulfonylphenyl)-3-phenylpropyl]piperidin-4-yl]benzimidazole hydrochloride Traditional Name: 5-mesyl-1-[1-[(3S)-3-(4-mesylphenyl)-3-phenyl-propyl]-4-piperidyl]benzimidazole hydrochloride Formula: C29H34ClN3O4S2 MolecularWeight: 588.18096

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C(CCN2CCC(CC2)N3C=NC4=C3C=CC(=C4)S(=O)(=O)C)C5=CC=CC=C5.Cl

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)[C@@H](CCN2CCC(CC2)N3C=NC4=C3C=CC(=C4)S(=O)(=O)C)C5=CC=CC=C5.Cl

InChI

InChI=1S/C29H33N3O4S2.ClH/c1-37(33,34)25-10-8-23(9-11-25)27(22-6-4-3-5-7-22)16-19-31-17-14-24(15-18-31)32-21-30-28-20-26(38(2,35)36)12-13-29(28)32;/h3-13,20-21,24,27H,14-19H2,1-2H3;1H/t27-;/m0./s1