1-[(4-methylsulfonylphenyl)methyl]-3-piperidin-4-yl-indole hydrochloride

Systemtic Name: 1-[(4-methylsulfonylphenyl)methyl]-3-piperidin-4-yl-indole hydrochloride Openeye Name: 1-[(4-methylsulfonylphenyl)methyl]-3-(4-piperidyl)indole hydrochloride CAS Name: 1-[(4-methylsulfonylphenyl)methyl]-3-(4-piperidinyl)indole hydrochloride IUPAC Name: 1-[(4-methylsulfonylphenyl)methyl]-3-piperidin-4-ylindole hydrochloride Traditional Name: 1-(4-mesylbenzyl)-3-(4-piperidyl)indole hydrochloride Formula: C21H25ClN2O2S MolecularWeight: 404.9534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)C4CCNCC4.Cl

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)C4CCNCC4.Cl

InChI

InChI=1S/C21H24N2O2S.ClH/c1-26(24,25)18-8-6-16(7-9-18)14-23-15-20(17-10-12-22-13-11-17)19-4-2-3-5-21(19)23;/h2-9,15,17,22H,10-14H2,1H3;1H