dimethyl 3-methyl-5-[4-(phenylmethyl)piperidin-1-yl]sulfonyl-thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 3-methyl-5-[4-(phenylmethyl)piperidin-1-yl]sulfonyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[(4-benzyl-1-piperidyl)sulfonyl]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[4-(phenylmethyl)-1-piperidinyl]sulfonyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-(4-benzylpiperidin-1-yl)sulfonyl-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-(4-benzylpiperidino)sulfonyl-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C21H25NO6S2 MolecularWeight: 451.5563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)S(=O)(=O)N2CCC(CC2)CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)S(=O)(=O)N2CCC(CC2)CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C21H25NO6S2/c1-14-17(19(23)27-2)21(29-18(14)20(24)28-3)30(25,26)22-11-9-16(10-12-22)13-15-7-5-4-6-8-15/h4-8,16H,9-13H2,1-3H3