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

Systemtic Name: 3-ethanoyl-1-[4-[[2-methyl-1-(4-methylsulfonylphenyl)pentan-3-yl]amino]butyl]-1,4-diazepan-2-one Openeye Name: 3-acetyl-1-[4-[[1-ethyl-2-methyl-3-(4-methylsulfonylphenyl)propyl]amino]butyl]-1,4-diazepan-2-one CAS Name: 3-acetyl-1-[4-[[2-methyl-1-(4-methylsulfonylphenyl)pentan-3-yl]amino]butyl]-1,4-diazepan-2-one IUPAC Name: 3-acetyl-1-[4-[[2-methyl-1-(4-methylsulfonylphenyl)pentan-3-yl]amino]butyl]-1,4-diazepan-2-one Traditional Name: 3-acetyl-1-[4-[[1-ethyl-3-(4-mesylphenyl)-2-methyl-propyl]amino]butyl]-1,4-diazepan-2-one Formula: C24H39N3O4S MolecularWeight: 465.64916

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C)CC1=CC=C(C=C1)S(=O)(=O)C)NCCCCN2CCCNC(C2=O)C(=O)C

Isomeric SMILES

CCC(C(C)CC1=CC=C(C=C1)S(=O)(=O)C)NCCCCN2CCCNC(C2=O)C(=O)C

InChI

InChI=1S/C24H39N3O4S/c1-5-22(18(2)17-20-9-11-21(12-10-20)32(4,30)31)25-13-6-7-15-27-16-8-14-26-23(19(3)28)24(27)29/h9-12,18,22-23,25-26H,5-8,13-17H2,1-4H3