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

Systemtic Name: 2-(3-methylphenyl)sulfonyl-1-piperidin-3-yl-azepan-3-amine Openeye Name: 2-(m-tolylsulfonyl)-1-(3-piperidyl)azepan-3-amine CAS Name: 2-(3-methylphenyl)sulfonyl-1-(3-piperidinyl)-3-azepanamine IUPAC Name: 2-(3-methylphenyl)sulfonyl-1-piperidin-3-ylazepan-3-amine Traditional Name: [2-(m-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=C1)S(=O)(=O)C2C(CCCCN2C3CCCNC3)N

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)C2C(CCCCN2C3CCCNC3)N

InChI

InChI=1S/C18H29N3O2S/c1-14-6-4-8-16(12-14)24(22,23)18-17(19)9-2-3-11-21(18)15-7-5-10-20-13-15/h4,6,8,12,15,17-18,20H,2-3,5,7,9-11,13,19H2,1H3