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

Systemtic Name: methyl 3-[4-(phenylmethyl)piperazin-1-yl]sulfonylthiophene-2-carboxylate Openeye Name: methyl 3-(4-benzylpiperazin-1-yl)sulfonylthiophene-2-carboxylate CAS Name: 3-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-(4-benzylpiperazin-1-yl)sulfonylthiophene-2-carboxylate Traditional Name: 3-(4-benzylpiperazino)sulfonylthiophene-2-carboxylic acid methyl ester Formula: C17H20N2O4S2 MolecularWeight: 380.4817

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C(C=CS1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C17H20N2O4S2/c1-23-17(20)16-15(7-12-24-16)25(21,22)19-10-8-18(9-11-19)13-14-5-3-2-4-6-14/h2-7,12H,8-11,13H2,1H3