2-(2-methylphenyl)sulfonyl-1-piperidin-4-yl-azepan-3-amine

Systemtic Name: 2-(2-methylphenyl)sulfonyl-1-piperidin-4-yl-azepan-3-amine Openeye Name: 2-(o-tolylsulfonyl)-1-(4-piperidyl)azepan-3-amine CAS Name: 2-(2-methylphenyl)sulfonyl-1-(4-piperidinyl)-3-azepanamine IUPAC Name: 2-(2-methylphenyl)sulfonyl-1-piperidin-4-ylazepan-3-amine Traditional Name: [2-(o-tolylsulfonyl)-1-(4-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(CCCCN2C3CCNCC3)N

Isomeric SMILES

CC1=CC=CC=C1S(=O)(=O)C2C(CCCCN2C3CCNCC3)N

InChI

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