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

Systemtic Name: 2-(4-methylphenyl)sulfonyl-1-piperidin-4-yl-azepan-3-amine Openeye Name: 1-(4-piperidyl)-2-(p-tolylsulfonyl)azepan-3-amine CAS Name: 2-(4-methylphenyl)sulfonyl-1-(4-piperidinyl)-3-azepanamine IUPAC Name: 2-(4-methylphenyl)sulfonyl-1-piperidin-4-ylazepan-3-amine Traditional Name: [1-(4-piperidyl)-2-tosyl-azepan-3-yl]amine Formula: C18H29N3O2S MolecularWeight: 351.50676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2C(CCCCN2C3CCNCC3)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2C(CCCCN2C3CCNCC3)N

InChI

InChI=1S/C18H29N3O2S/c1-14-5-7-16(8-6-14)24(22,23)18-17(19)4-2-3-13-21(18)15-9-11-20-12-10-15/h5-8,15,17-18,20H,2-4,9-13,19H2,1H3