(2R)-1-(4-methoxyphenyl)sulfonyl-2-[(phenylmethyl)sulfonylamino]azocane-2-carboxylic acid

Systemtic Name: (2R)-1-(4-methoxyphenyl)sulfonyl-2-[(phenylmethyl)sulfonylamino]azocane-2-carboxylic acid Openeye Name: (2R)-2-(benzylsulfonylamino)-1-(4-methoxyphenyl)sulfonyl-azocane-2-carboxylic acid CAS Name: (2R)-1-(4-methoxyphenyl)sulfonyl-2-[(phenylmethyl)sulfonylamino]-2-azocanecarboxylic acid IUPAC Name: (2R)-2-(benzylsulfonylamino)-1-(4-methoxyphenyl)sulfonylazocane-2-carboxylic acid Traditional Name: (2R)-2-(benzylsulfonylamino)-1-(4-methoxyphenyl)sulfonyl-azocane-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)N2CCCCCCC2(C(=O)O)NS(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCCCCC[C@@]2(C(=O)O)NS(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C22H28N2O7S2/c1-31-19-11-13-20(14-12-19)33(29,30)24-16-8-3-2-7-15-22(24,21(25)26)23-32(27,28)17-18-9-5-4-6-10-18/h4-6,9-14,23H,2-3,7-8,15-17H2,1H3,(H,25,26)/t22-/m1/s1