methyl 3-[4-(phenylmethyl)piperidin-1-yl]sulfonylthiophene-2-carboxylate

Systemtic Name: methyl 3-[4-(phenylmethyl)piperidin-1-yl]sulfonylthiophene-2-carboxylate Openeye Name: methyl 3-[(4-benzyl-1-piperidyl)sulfonyl]thiophene-2-carboxylate CAS Name: 3-[[4-(phenylmethyl)-1-piperidinyl]sulfonyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-(4-benzylpiperidin-1-yl)sulfonylthiophene-2-carboxylate Traditional Name: 3-(4-benzylpiperidino)sulfonylthiophene-2-carboxylic acid methyl ester Formula: C18H21NO4S2 MolecularWeight: 379.49364

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)S(=O)(=O)N2CCC(CC2)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C(C=CS1)S(=O)(=O)N2CCC(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C18H21NO4S2/c1-23-18(20)17-16(9-12-24-17)25(21,22)19-10-7-15(8-11-19)13-14-5-3-2-4-6-14/h2-6,9,12,15H,7-8,10-11,13H2,1H3