4-[4-[1-(4-methylsulfonylphenyl)propan-2-yl-propyl-amino]butyl]-5-oxidanylidene-1,4-diazepane-1-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCCCN1CCN(CCC1=O)C(=O)O)C(C)CC2=CC=C(C=C2)S(=O)(=O)C

Isomeric SMILES

CCCN(CCCCN1CCN(CCC1=O)C(=O)O)C(C)CC2=CC=C(C=C2)S(=O)(=O)C

InChI

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