methyl 4-methoxy-5-[4-(2-phenylazanylphenyl)carbonylpiperazin-1-yl]sulfonyl-thiophene-3-carboxylate

Systemtic Name: methyl 4-methoxy-5-[4-(2-phenylazanylphenyl)carbonylpiperazin-1-yl]sulfonyl-thiophene-3-carboxylate Openeye Name: methyl 5-[4-(2-anilinobenzoyl)piperazin-1-yl]sulfonyl-4-methoxy-thiophene-3-carboxylate CAS Name: 5-[[4-[(2-anilinophenyl)-oxomethyl]-1-piperazinyl]sulfonyl]-4-methoxy-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[4-(2-anilinobenzoyl)piperazin-1-yl]sulfonyl-4-methoxythiophene-3-carboxylate Traditional Name: 5-[4-(2-anilinobenzoyl)piperazino]sulfonyl-4-methoxy-thiophene-3-carboxylic acid methyl ester Formula: C24H25N3O6S2 MolecularWeight: 515.6018

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(SC=C1C(=O)OC)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CC=C3NC4=CC=CC=C4

Isomeric SMILES

COC1=C(SC=C1C(=O)OC)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CC=C3NC4=CC=CC=C4

InChI

InChI=1S/C24H25N3O6S2/c1-32-21-19(23(29)33-2)16-34-24(21)35(30,31)27-14-12-26(13-15-27)22(28)18-10-6-7-11-20(18)25-17-8-4-3-5-9-17/h3-11,16,25H,12-15H2,1-2H3