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

Systemtic Name: 4-[4-[ethyl-[1-(4-methylsulfonylphenyl)propan-2-yl]amino]butyl]-5-oxidanylidene-1,4-diazepane-1-carboxylic acid Openeye Name: 4-[4-[ethyl-[1-methyl-2-(4-methylsulfonylphenyl)ethyl]amino]butyl]-5-oxo-1,4-diazepane-1-carboxylic acid CAS Name: 4-[4-[ethyl-[1-(4-methylsulfonylphenyl)propan-2-yl]amino]butyl]-5-oxo-1,4-diazepane-1-carboxylic acid IUPAC Name: 4-[4-[ethyl-[1-(4-methylsulfonylphenyl)propan-2-yl]amino]butyl]-5-oxo-1,4-diazepane-1-carboxylic acid Traditional Name: 4-[4-[ethyl-[2-(4-mesylphenyl)-1-methyl-ethyl]amino]butyl]-5-keto-1,4-diazepane-1-carboxylic acid Formula: C22H35N3O5S MolecularWeight: 453.5954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H35N3O5S/c1-4-23(18(2)17-19-7-9-20(10-8-19)31(3,29)30)12-5-6-13-24-15-16-25(22(27)28)14-11-21(24)26/h7-10,18H,4-6,11-17H2,1-3H3,(H,27,28)