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

Systemtic Name: 2-aminocarbonyl-1-(4-methoxyphenyl)sulfonyl-3-phenethyl-azepane-2-carboxylic acid Openeye Name: 2-carbamoyl-1-(4-methoxyphenyl)sulfonyl-3-phenethyl-azepane-2-carboxylic acid CAS Name: 2-carbamoyl-1-(4-methoxyphenyl)sulfonyl-3-phenethyl-2-azepanecarboxylic acid IUPAC Name: 2-carbamoyl-1-(4-methoxyphenyl)sulfonyl-3-phenethylazepane-2-carboxylic acid Traditional Name: 2-carbamoyl-1-(4-methoxyphenyl)sulfonyl-3-phenethyl-azepane-2-carboxylic acid Formula: C23H28N2O6S MolecularWeight: 460.54322

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCCCC(C2(C(=O)N)C(=O)O)CCC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCCCC(C2(C(=O)N)C(=O)O)CCC3=CC=CC=C3

InChI

InChI=1S/C23H28N2O6S/c1-31-19-12-14-20(15-13-19)32(29,30)25-16-6-5-9-18(23(25,21(24)26)22(27)28)11-10-17-7-3-2-4-8-17/h2-4,7-8,12-15,18H,5-6,9-11,16H2,1H3,(H2,24,26)(H,27,28)