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

Systemtic Name: methyl 5-[4-(2-phenethylphenyl)carbonylpiperazin-1-yl]sulfonylthiophene-3-carboxylate Openeye Name: methyl 5-[4-(2-phenethylbenzoyl)piperazin-1-yl]sulfonylthiophene-3-carboxylate CAS Name: 5-[[4-[oxo-(2-phenethylphenyl)methyl]-1-piperazinyl]sulfonyl]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[4-(2-phenethylbenzoyl)piperazin-1-yl]sulfonylthiophene-3-carboxylate Traditional Name: 5-[4-(2-phenethylbenzoyl)piperazino]sulfonylthiophene-3-carboxylic acid methyl ester Formula: C25H26N2O5S2 MolecularWeight: 498.61434

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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=C3CCC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CSC(=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CC=C3CCC4=CC=CC=C4

InChI

InChI=1S/C25H26N2O5S2/c1-32-25(29)21-17-23(33-18-21)34(30,31)27-15-13-26(14-16-27)24(28)22-10-6-5-9-20(22)12-11-19-7-3-2-4-8-19/h2-10,17-18H,11-16H2,1H3