4-[4-[[2-methyl-1-(4-methylsulfonylphenyl)pentan-3-yl]amino]butyl]-5-oxidanylidene-1,4-diazepane-1-carboxylic acid

Systemtic Name: 4-[4-[[2-methyl-1-(4-methylsulfonylphenyl)pentan-3-yl]amino]butyl]-5-oxidanylidene-1,4-diazepane-1-carboxylic acid Openeye Name: 4-[4-[[1-ethyl-2-methyl-3-(4-methylsulfonylphenyl)propyl]amino]butyl]-5-oxo-1,4-diazepane-1-carboxylic acid CAS Name: 4-[4-[[2-methyl-1-(4-methylsulfonylphenyl)pentan-3-yl]amino]butyl]-5-oxo-1,4-diazepane-1-carboxylic acid IUPAC Name: 4-[4-[[2-methyl-1-(4-methylsulfonylphenyl)pentan-3-yl]amino]butyl]-5-oxo-1,4-diazepane-1-carboxylic acid Traditional Name: 4-[4-[[1-ethyl-3-(4-mesylphenyl)-2-methyl-propyl]amino]butyl]-5-keto-1,4-diazepane-1-carboxylic acid Formula: C23H37N3O5S MolecularWeight: 467.62198

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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(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C23H37N3O5S/c1-4-21(18(2)17-19-7-9-20(10-8-19)32(3,30)31)24-12-5-6-13-25-15-16-26(23(28)29)14-11-22(25)27/h7-10,18,21,24H,4-6,11-17H2,1-3H3,(H,28,29)