methyl 3-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]sulfonylthiophene-2-carboxylate

Systemtic Name: methyl 3-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]sulfonylthiophene-2-carboxylate Openeye Name: methyl 3-(4-tetralin-6-ylsulfonylpiperazin-1-yl)sulfonylthiophene-2-carboxylate CAS Name: 3-[[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1-piperazinyl]sulfonyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]sulfonylthiophene-2-carboxylate Traditional Name: 3-(4-tetralin-6-ylsulfonylpiperazino)sulfonylthiophene-2-carboxylic acid methyl ester Formula: C20H24N2O6S3 MolecularWeight: 484.60936

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(CCCC4)C=C3

Isomeric SMILES

COC(=O)C1=C(C=CS1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(CCCC4)C=C3

InChI

InChI=1S/C20H24N2O6S3/c1-28-20(23)19-18(8-13-29-19)31(26,27)22-11-9-21(10-12-22)30(24,25)17-7-6-15-4-2-3-5-16(15)14-17/h6-8,13-14H,2-5,9-12H2,1H3