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

Systemtic Name: 1-[4-[[2-methyl-1-(4-methylsulfonylphenyl)pentan-3-yl]amino]butyl]-4-propanoyl-1,4-diazepan-2-one Openeye Name: 1-[4-[[1-ethyl-2-methyl-3-(4-methylsulfonylphenyl)propyl]amino]butyl]-4-propanoyl-1,4-diazepan-2-one CAS Name: 1-[4-[[2-methyl-1-(4-methylsulfonylphenyl)pentan-3-yl]amino]butyl]-4-(1-oxopropyl)-1,4-diazepan-2-one IUPAC Name: 1-[4-[[2-methyl-1-(4-methylsulfonylphenyl)pentan-3-yl]amino]butyl]-4-propanoyl-1,4-diazepan-2-one Traditional Name: 1-[4-[[1-ethyl-3-(4-mesylphenyl)-2-methyl-propyl]amino]butyl]-4-propionyl-1,4-diazepan-2-one Formula: C25H41N3O4S MolecularWeight: 479.67574

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C)CC1=CC=C(C=C1)S(=O)(=O)C)NCCCCN2CCCN(CC2=O)C(=O)CC

Isomeric SMILES

CCC(C(C)CC1=CC=C(C=C1)S(=O)(=O)C)NCCCCN2CCCN(CC2=O)C(=O)CC

InChI

InChI=1S/C25H41N3O4S/c1-5-23(20(3)18-21-10-12-22(13-11-21)33(4,31)32)26-14-7-8-15-27-16-9-17-28(19-25(27)30)24(29)6-2/h10-13,20,23,26H,5-9,14-19H2,1-4H3