4-[4-[[2-methyl-1-(4-methylsulfonylphenyl)pentan-3-yl]amino]butyl]-1,4-diazepan-5-one

Systemtic Name: 4-[4-[[2-methyl-1-(4-methylsulfonylphenyl)pentan-3-yl]amino]butyl]-1,4-diazepan-5-one Openeye Name: 4-[4-[[1-ethyl-2-methyl-3-(4-methylsulfonylphenyl)propyl]amino]butyl]-1,4-diazepan-5-one CAS Name: 4-[4-[[2-methyl-1-(4-methylsulfonylphenyl)pentan-3-yl]amino]butyl]-1,4-diazepan-5-one IUPAC Name: 4-[4-[[2-methyl-1-(4-methylsulfonylphenyl)pentan-3-yl]amino]butyl]-1,4-diazepan-5-one Traditional Name: 4-[4-[[1-ethyl-3-(4-mesylphenyl)-2-methyl-propyl]amino]butyl]-1,4-diazepan-5-one Formula: C22H37N3O3S MolecularWeight: 423.61248

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C)CC1=CC=C(C=C1)S(=O)(=O)C)NCCCCN2CCNCCC2=O

Isomeric SMILES

CCC(C(C)CC1=CC=C(C=C1)S(=O)(=O)C)NCCCCN2CCNCCC2=O

InChI

InChI=1S/C22H37N3O3S/c1-4-21(18(2)17-19-7-9-20(10-8-19)29(3,27)28)24-12-5-6-15-25-16-14-23-13-11-22(25)26/h7-10,18,21,23-24H,4-6,11-17H2,1-3H3