N-butyl-1-(4-methylphenyl)sulfonyl-azepan-3-amine

Systemtic Name: N-butyl-1-(4-methylphenyl)sulfonyl-azepan-3-amine Openeye Name: N-butyl-1-(p-tolylsulfonyl)azepan-3-amine CAS Name: N-butyl-1-(4-methylphenyl)sulfonyl-3-azepanamine IUPAC Name: N-butyl-1-(4-methylphenyl)sulfonylazepan-3-amine Traditional Name: butyl-(1-tosylazepan-3-yl)amine Formula: C17H28N2O2S MolecularWeight: 324.48142

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1CCCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCNC1CCCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C17H28N2O2S/c1-3-4-12-18-16-7-5-6-13-19(14-16)22(20,21)17-10-8-15(2)9-11-17/h8-11,16,18H,3-7,12-14H2,1-2H3