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

Systemtic Name: 2-(4-tert-butylphenyl)sulfonyl-1-piperidin-3-yl-azepan-3-amine Openeye Name: 2-(4-tert-butylphenyl)sulfonyl-1-(3-piperidyl)azepan-3-amine CAS Name: 2-(4-tert-butylphenyl)sulfonyl-1-(3-piperidinyl)-3-azepanamine IUPAC Name: 2-(4-tert-butylphenyl)sulfonyl-1-piperidin-3-ylazepan-3-amine Traditional Name: [2-(4-tert-butylphenyl)sulfonyl-1-(3-piperidyl)azepan-3-yl]amine Formula: C21H35N3O2S MolecularWeight: 393.5865

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H35N3O2S/c1-21(2,3)16-9-11-18(12-10-16)27(25,26)20-19(22)8-4-5-14-24(20)17-7-6-13-23-15-17/h9-12,17,19-20,23H,4-8,13-15,22H2,1-3H3