1-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]-1,4-diazepane hydrochloride

Systemtic Name: 1-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]-1,4-diazepane hydrochloride Openeye Name: 1-[1-[(2-methylsulfonylphenyl)methyl]-4-piperidyl]-1,4-diazepane hydrochloride CAS Name: 1-[1-[(2-methylsulfonylphenyl)methyl]-4-piperidinyl]-1,4-diazepane hydrochloride IUPAC Name: 1-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]-1,4-diazepane hydrochloride Traditional Name: 1-[1-(2-mesylbenzyl)-4-piperidyl]-1,4-diazepane hydrochloride Formula: C18H30ClN3O2S MolecularWeight: 387.9677

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1CN2CCC(CC2)N3CCCNCC3.Cl

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1CN2CCC(CC2)N3CCCNCC3.Cl

InChI

InChI=1S/C18H29N3O2S.ClH/c1-24(22,23)18-6-3-2-5-16(18)15-20-12-7-17(8-13-20)21-11-4-9-19-10-14-21;/h2-3,5-6,17,19H,4,7-15H2,1H3;1H