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

Systemtic Name: 4-[4-[[2-methyl-1-(4-propylsulfonylphenyl)pentan-3-yl]amino]butyl]-1,4-diazepan-5-one Openeye Name: 4-[4-[[1-ethyl-2-methyl-3-(4-propylsulfonylphenyl)propyl]amino]butyl]-1,4-diazepan-5-one CAS Name: 4-[4-[[2-methyl-1-(4-propylsulfonylphenyl)pentan-3-yl]amino]butyl]-1,4-diazepan-5-one IUPAC Name: 4-[4-[[2-methyl-1-(4-propylsulfonylphenyl)pentan-3-yl]amino]butyl]-1,4-diazepan-5-one Traditional Name: 4-[4-[[1-ethyl-2-methyl-3-(4-propylsulfonylphenyl)propyl]amino]butyl]-1,4-diazepan-5-one Formula: C24H41N3O3S MolecularWeight: 451.66564

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)C1=CC=C(C=C1)CC(C)C(CC)NCCCCN2CCNCCC2=O

Isomeric SMILES

CCCS(=O)(=O)C1=CC=C(C=C1)CC(C)C(CC)NCCCCN2CCNCCC2=O

InChI

InChI=1S/C24H41N3O3S/c1-4-18-31(29,30)22-10-8-21(9-11-22)19-20(3)23(5-2)26-13-6-7-16-27-17-15-25-14-12-24(27)28/h8-11,20,23,25-26H,4-7,12-19H2,1-3H3