methyl 3-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl-4-phenyl-thiophene-2-carboxylate

Systemtic Name: methyl 3-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl-4-phenyl-thiophene-2-carboxylate Openeye Name: methyl 3-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl-4-phenyl-thiophene-2-carboxylate CAS Name: 3-[[4-(3-methoxyphenyl)-1-piperazinyl]sulfonyl]-4-phenyl-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl-4-phenylthiophene-2-carboxylate Traditional Name: 3-[4-(3-methoxyphenyl)piperazino]sulfonyl-4-phenyl-thiophene-2-carboxylic acid methyl ester Formula: C23H24N2O5S2 MolecularWeight: 472.57706

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CCN(CC2)S(=O)(=O)C3=C(SC=C3C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

COC1=CC=CC(=C1)N2CCN(CC2)S(=O)(=O)C3=C(SC=C3C4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C23H24N2O5S2/c1-29-19-10-6-9-18(15-19)24-11-13-25(14-12-24)32(27,28)22-20(17-7-4-3-5-8-17)16-31-21(22)23(26)30-2/h3-10,15-16H,11-14H2,1-2H3