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

Systemtic Name: 1-methyl-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-methyl-1,4-diazepan-5-one CAS Name: 1-methyl-4-[4-[[2-methyl-1-(4-methylsulfonylphenyl)pentan-3-yl]amino]butyl]-1,4-diazepan-5-one IUPAC Name: 1-methyl-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-methyl-1,4-diazepan-5-one Formula: C23H39N3O3S MolecularWeight: 437.63906

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C)CC1=CC=C(C=C1)S(=O)(=O)C)NCCCCN2CCN(CCC2=O)C

Isomeric SMILES

CCC(C(C)CC1=CC=C(C=C1)S(=O)(=O)C)NCCCCN2CCN(CCC2=O)C

InChI

InChI=1S/C23H39N3O3S/c1-5-22(19(2)18-20-8-10-21(11-9-20)30(4,28)29)24-13-6-7-14-26-17-16-25(3)15-12-23(26)27/h8-11,19,22,24H,5-7,12-18H2,1-4H3