methyl 4-phenyl-3-(4-phenylpiperazin-1-yl)sulfonyl-thiophene-2-carboxylate

Systemtic Name: methyl 4-phenyl-3-(4-phenylpiperazin-1-yl)sulfonyl-thiophene-2-carboxylate Openeye Name: methyl 4-phenyl-3-(4-phenylpiperazin-1-yl)sulfonyl-thiophene-2-carboxylate CAS Name: 4-phenyl-3-[(4-phenyl-1-piperazinyl)sulfonyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-phenyl-3-(4-phenylpiperazin-1-yl)sulfonylthiophene-2-carboxylate Traditional Name: 4-phenyl-3-(4-phenylpiperazino)sulfonyl-thiophene-2-carboxylic acid methyl ester Formula: C22H22N2O4S2 MolecularWeight: 442.55108

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=CS1)C2=CC=CC=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(C(=CS1)C2=CC=CC=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C22H22N2O4S2/c1-28-22(25)20-21(19(16-29-20)17-8-4-2-5-9-17)30(26,27)24-14-12-23(13-15-24)18-10-6-3-7-11-18/h2-11,16H,12-15H2,1H3