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

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

Isomeric SMILES

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

InChI

InChI=1S/C21H35N3O2S/c1-21(2,3)16-7-9-18(10-8-16)27(25,26)20-19(22)6-4-5-15-24(20)17-11-13-23-14-12-17/h7-10,17,19-20,23H,4-6,11-15,22H2,1-3H3