methyl 4-[bis[(4-phenylphenyl)sulfonyl]amino]-5-methylsulfanyl-thiophene-2-carboxylate

Systemtic Name: methyl 4-[bis[(4-phenylphenyl)sulfonyl]amino]-5-methylsulfanyl-thiophene-2-carboxylate Openeye Name: methyl 4-[bis[(4-phenylphenyl)sulfonyl]amino]-5-methylsulfanyl-thiophene-2-carboxylate CAS Name: 4-[bis[(4-phenylphenyl)sulfonyl]amino]-5-(methylthio)-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-[bis[(4-phenylphenyl)sulfonyl]amino]-5-methylsulfanylthiophene-2-carboxylate Traditional Name: 4-[bis[(4-phenylphenyl)sulfonyl]amino]-5-(methylthio)thiophene-2-carboxylic acid methyl ester Formula: C31H25NO6S4 MolecularWeight: 635.7933

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(S1)SC)N(S(=O)(=O)C2=CC=C(C=C2)C3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=CC(=C(S1)SC)N(S(=O)(=O)C2=CC=C(C=C2)C3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H25NO6S4/c1-38-30(33)29-21-28(31(39-2)40-29)32(41(34,35)26-17-13-24(14-18-26)22-9-5-3-6-10-22)42(36,37)27-19-15-25(16-20-27)23-11-7-4-8-12-23/h3-21H,1-2H3