1-[4-[[3-methyl-4-[2-(phenylsulfonyl)phenyl]butan-2-yl]amino]butyl]azepan-2-one

Systemtic Name: 1-[4-[[3-methyl-4-[2-(phenylsulfonyl)phenyl]butan-2-yl]amino]butyl]azepan-2-one Openeye Name: 1-[4-[[3-[2-(benzenesulfonyl)phenyl]-1,2-dimethyl-propyl]amino]butyl]azepan-2-one CAS Name: 1-[4-[[4-[2-(benzenesulfonyl)phenyl]-3-methylbutan-2-yl]amino]butyl]-2-azepanone IUPAC Name: 1-[4-[[4-[2-(benzenesulfonyl)phenyl]-3-methylbutan-2-yl]amino]butyl]azepan-2-one Traditional Name: 1-[4-[[3-(2-besylphenyl)-1,2-dimethyl-propyl]amino]butyl]azepan-2-one Formula: C27H38N2O3S MolecularWeight: 470.66722

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1S(=O)(=O)C2=CC=CC=C2)C(C)NCCCCN3CCCCCC3=O

Isomeric SMILES

CC(CC1=CC=CC=C1S(=O)(=O)C2=CC=CC=C2)C(C)NCCCCN3CCCCCC3=O

InChI

InChI=1S/C27H38N2O3S/c1-22(23(2)28-18-10-12-20-29-19-11-4-7-17-27(29)30)21-24-13-8-9-16-26(24)33(31,32)25-14-5-3-6-15-25/h3,5-6,8-9,13-16,22-23,28H,4,7,10-12,17-21H2,1-2H3