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

Systemtic Name: 1-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]-1,4-diazepane Openeye Name: 1-[1-[(2-methylsulfonylphenyl)methyl]-4-piperidyl]-1,4-diazepane CAS Name: 1-[1-[(2-methylsulfonylphenyl)methyl]-4-piperidinyl]-1,4-diazepane IUPAC Name: 1-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]-1,4-diazepane Traditional Name: 1-[1-(2-mesylbenzyl)-4-piperidyl]-1,4-diazepane Formula: C18H29N3O2S MolecularWeight: 351.50676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29N3O2S/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