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

Systemtic Name: 1-[4-[[4-(4-ethylsulfonylphenyl)-3-methyl-butan-2-yl]amino]butyl]azepan-2-one Openeye Name: 1-[4-[[3-(4-ethylsulfonylphenyl)-1,2-dimethyl-propyl]amino]butyl]azepan-2-one CAS Name: 1-[4-[[4-(4-ethylsulfonylphenyl)-3-methylbutan-2-yl]amino]butyl]-2-azepanone IUPAC Name: 1-[4-[[4-(4-ethylsulfonylphenyl)-3-methylbutan-2-yl]amino]butyl]azepan-2-one Traditional Name: 1-[4-[[3-(4-esylphenyl)-1,2-dimethyl-propyl]amino]butyl]azepan-2-one Formula: C23H38N2O3S MolecularWeight: 422.62442

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=C(C=C1)CC(C)C(C)NCCCCN2CCCCCC2=O

Isomeric SMILES

CCS(=O)(=O)C1=CC=C(C=C1)CC(C)C(C)NCCCCN2CCCCCC2=O

InChI

InChI=1S/C23H38N2O3S/c1-4-29(27,28)22-13-11-21(12-14-22)18-19(2)20(3)24-15-7-9-17-25-16-8-5-6-10-23(25)26/h11-14,19-20,24H,4-10,15-18H2,1-3H3