1-[(2-methylphenyl)methyl]-4-(3-methylpiperidin-1-yl)sulfonyl-1,4-diazepane hydrochloride

Systemtic Name: 1-[(2-methylphenyl)methyl]-4-(3-methylpiperidin-1-yl)sulfonyl-1,4-diazepane hydrochloride Openeye Name: 1-[(3-methyl-1-piperidyl)sulfonyl]-4-(o-tolylmethyl)-1,4-diazepane hydrochloride CAS Name: 1-[(2-methylphenyl)methyl]-4-[(3-methyl-1-piperidinyl)sulfonyl]-1,4-diazepane hydrochloride IUPAC Name: 1-[(2-methylphenyl)methyl]-4-(3-methylpiperidin-1-yl)sulfonyl-1,4-diazepane hydrochloride Traditional Name: 1-(2-methylbenzyl)-4-(3-methylpiperidino)sulfonyl-1,4-diazepane hydrochloride Formula: C19H32ClN3O2S MolecularWeight: 401.99428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)N2CCCN(CC2)CC3=CC=CC=C3C.Cl

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)N2CCCN(CC2)CC3=CC=CC=C3C.Cl

InChI

InChI=1S/C19H31N3O2S.ClH/c1-17-7-5-11-22(15-17)25(23,24)21-12-6-10-20(13-14-21)16-19-9-4-3-8-18(19)2;/h3-4,8-9,17H,5-7,10-16H2,1-2H3;1H