2-(2-methylphenyl)sulfonyl-1-piperidin-3-yl-azepan-3-amine

Systemtic Name: 2-(2-methylphenyl)sulfonyl-1-piperidin-3-yl-azepan-3-amine Openeye Name: 2-(o-tolylsulfonyl)-1-(3-piperidyl)azepan-3-amine CAS Name: 2-(2-methylphenyl)sulfonyl-1-(3-piperidinyl)-3-azepanamine IUPAC Name: 2-(2-methylphenyl)sulfonyl-1-piperidin-3-ylazepan-3-amine Traditional Name: [2-(o-tolylsulfonyl)-1-(3-piperidyl)azepan-3-yl]amine Formula: C18H29N3O2S MolecularWeight: 351.50676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1S(=O)(=O)C2C(CCCCN2C3CCCNC3)N

Isomeric SMILES

CC1=CC=CC=C1S(=O)(=O)C2C(CCCCN2C3CCCNC3)N

InChI

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