4-[(4-methoxyphenyl)sulfonyl-(phenylmethyl)amino]thiane-4-carboxylic acid

Systemtic Name: 4-[(4-methoxyphenyl)sulfonyl-(phenylmethyl)amino]thiane-4-carboxylic acid Openeye Name: 4-[benzyl-(4-methoxyphenyl)sulfonyl-amino]tetrahydrothiopyran-4-carboxylic acid CAS Name: 4-[(4-methoxyphenyl)sulfonyl-(phenylmethyl)amino]-4-thianecarboxylic acid IUPAC Name: 4-[benzyl-(4-methoxyphenyl)sulfonylamino]thiane-4-carboxylic acid Traditional Name: 4-[benzyl-(4-methoxyphenyl)sulfonyl-amino]tetrahydrothiopyran-4-carboxylic acid Formula: C20H23NO5S2 MolecularWeight: 421.53032

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)C3(CCSCC3)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)C3(CCSCC3)C(=O)O

InChI

InChI=1S/C20H23NO5S2/c1-26-17-7-9-18(10-8-17)28(24,25)21(15-16-5-3-2-4-6-16)20(19(22)23)11-13-27-14-12-20/h2-10H,11-15H2,1H3,(H,22,23)