methyl 5-[4-(1,2,3,4-tetrahydronaphthalen-1-ylcarbonyl)piperazin-1-yl]sulfonylthiophene-3-carboxylate

Systemtic Name: methyl 5-[4-(1,2,3,4-tetrahydronaphthalen-1-ylcarbonyl)piperazin-1-yl]sulfonylthiophene-3-carboxylate Openeye Name: methyl 5-[4-(tetralin-1-carbonyl)piperazin-1-yl]sulfonylthiophene-3-carboxylate CAS Name: 5-[[4-[oxo(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-1-piperazinyl]sulfonyl]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[4-(1,2,3,4-tetrahydronaphthalene-1-carbonyl)piperazin-1-yl]sulfonylthiophene-3-carboxylate Traditional Name: 5-[4-(tetralin-1-carbonyl)piperazino]sulfonylthiophene-3-carboxylic acid methyl ester Formula: C21H24N2O5S2 MolecularWeight: 448.55566

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CSC(=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3CCCC4=CC=CC=C34

Isomeric SMILES

COC(=O)C1=CSC(=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3CCCC4=CC=CC=C34

InChI

InChI=1S/C21H24N2O5S2/c1-28-21(25)16-13-19(29-14-16)30(26,27)23-11-9-22(10-12-23)20(24)18-8-4-6-15-5-2-3-7-17(15)18/h2-3,5,7,13-14,18H,4,6,8-12H2,1H3