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

Systemtic Name: 1-[4-[[4-(3-chloranyl-4-methylsulfonyl-phenyl)-3-methyl-butan-2-yl]amino]butyl]azepan-2-one Openeye Name: 1-[4-[[3-(3-chloro-4-methylsulfonyl-phenyl)-1,2-dimethyl-propyl]amino]butyl]azepan-2-one CAS Name: 1-[4-[[4-(3-chloro-4-methylsulfonylphenyl)-3-methylbutan-2-yl]amino]butyl]-2-azepanone IUPAC Name: 1-[4-[[4-(3-chloro-4-methylsulfonylphenyl)-3-methylbutan-2-yl]amino]butyl]azepan-2-one Traditional Name: 1-[4-[[3-(3-chloro-4-mesyl-phenyl)-1,2-dimethyl-propyl]amino]butyl]azepan-2-one Formula: C22H35ClN2O3S MolecularWeight: 443.0429

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC(=C(C=C1)S(=O)(=O)C)Cl)C(C)NCCCCN2CCCCCC2=O

Isomeric SMILES

CC(CC1=CC(=C(C=C1)S(=O)(=O)C)Cl)C(C)NCCCCN2CCCCCC2=O

InChI

InChI=1S/C22H35ClN2O3S/c1-17(15-19-10-11-21(20(23)16-19)29(3,27)28)18(2)24-12-6-8-14-25-13-7-4-5-9-22(25)26/h10-11,16-18,24H,4-9,12-15H2,1-3H3