methyl 4-[(4-methoxyphenyl)sulfonyl-(phenylmethyl)amino]thiane-4-carboxylate

Systemtic Name: methyl 4-[(4-methoxyphenyl)sulfonyl-(phenylmethyl)amino]thiane-4-carboxylate Openeye Name: methyl 4-[benzyl-(4-methoxyphenyl)sulfonyl-amino]tetrahydrothiopyran-4-carboxylate CAS Name: 4-[(4-methoxyphenyl)sulfonyl-(phenylmethyl)amino]-4-thianecarboxylic acid methyl ester IUPAC Name: methyl 4-[benzyl-(4-methoxyphenyl)sulfonylamino]thiane-4-carboxylate Traditional Name: 4-[benzyl-(4-methoxyphenyl)sulfonyl-amino]tetrahydrothiopyran-4-carboxylic acid methyl ester Formula: C21H25NO5S2 MolecularWeight: 435.5569

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO5S2/c1-26-18-8-10-19(11-9-18)29(24,25)22(16-17-6-4-3-5-7-17)21(20(23)27-2)12-14-28-15-13-21/h3-11H,12-16H2,1-2H3