1-(4-methoxyphenyl)sulfonyl-3-(phenethylsulfonylamino)azepane-2-carboxylic acid

Systemtic Name: 1-(4-methoxyphenyl)sulfonyl-3-(phenethylsulfonylamino)azepane-2-carboxylic acid Openeye Name: 1-(4-methoxyphenyl)sulfonyl-3-(phenethylsulfonylamino)azepane-2-carboxylic acid CAS Name: 1-(4-methoxyphenyl)sulfonyl-3-(phenethylsulfonylamino)-2-azepanecarboxylic acid IUPAC Name: 1-(4-methoxyphenyl)sulfonyl-3-(phenethylsulfonylamino)azepane-2-carboxylic acid Traditional Name: 1-(4-methoxyphenyl)sulfonyl-3-(phenethylsulfonylamino)azepane-2-carboxylic acid Formula: C22H28N2O7S2 MolecularWeight: 496.59692

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCCCC(C2C(=O)O)NS(=O)(=O)CCC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCCCC(C2C(=O)O)NS(=O)(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C22H28N2O7S2/c1-31-18-10-12-19(13-11-18)33(29,30)24-15-6-5-9-20(21(24)22(25)26)23-32(27,28)16-14-17-7-3-2-4-8-17/h2-4,7-8,10-13,20-21,23H,5-6,9,14-16H2,1H3,(H,25,26)