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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)N2CCCN(CC2)CC3=CC=CC=C3C.Cl

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)N2CCCN(CC2)CC3=CC=CC=C3C.Cl

InChI

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