1-[3-methyl-3-(phenylsulfonyl)butyl]-4-phenyl-azepane

Systemtic Name: 1-[3-methyl-3-(phenylsulfonyl)butyl]-4-phenyl-azepane Openeye Name: 1-[3-(benzenesulfonyl)-3-methyl-butyl]-4-phenyl-azepane CAS Name: 1-[3-(benzenesulfonyl)-3-methylbutyl]-4-phenylazepane IUPAC Name: 1-[3-(benzenesulfonyl)-3-methylbutyl]-4-phenylazepane Traditional Name: 1-(3-besyl-3-methyl-butyl)-4-phenyl-azepane Formula: C23H31NO2S MolecularWeight: 385.56274

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCN1CCCC(CC1)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)(CCN1CCCC(CC1)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H31NO2S/c1-23(2,27(25,26)22-13-7-4-8-14-22)16-19-24-17-9-12-21(15-18-24)20-10-5-3-6-11-20/h3-8,10-11,13-14,21H,9,12,15-19H2,1-2H3