methyl 5-[4-(2-phenoxyphenyl)carbonylpiperazin-1-yl]sulfonylthiophene-3-carboxylate

Systemtic Name: methyl 5-[4-(2-phenoxyphenyl)carbonylpiperazin-1-yl]sulfonylthiophene-3-carboxylate Openeye Name: methyl 5-[4-(2-phenoxybenzoyl)piperazin-1-yl]sulfonylthiophene-3-carboxylate CAS Name: 5-[[4-[oxo-(2-phenoxyphenyl)methyl]-1-piperazinyl]sulfonyl]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[4-(2-phenoxybenzoyl)piperazin-1-yl]sulfonylthiophene-3-carboxylate Traditional Name: 5-[4-(2-phenoxybenzoyl)piperazino]sulfonylthiophene-3-carboxylic acid methyl ester Formula: C23H22N2O6S2 MolecularWeight: 486.56058

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CSC(=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CC=C3OC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CSC(=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CC=C3OC4=CC=CC=C4

InChI

InChI=1S/C23H22N2O6S2/c1-30-23(27)17-15-21(32-16-17)33(28,29)25-13-11-24(12-14-25)22(26)19-9-5-6-10-20(19)31-18-7-3-2-4-8-18/h2-10,15-16H,11-14H2,1H3