ethyl 2-[2-[(4-methylphenyl)sulfonyl-phenyl-amino]ethanoylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[(4-methylphenyl)sulfonyl-phenyl-amino]ethanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 4-phenyl-2-[[2-[N-(p-tolylsulfonyl)anilino]acetyl]amino]thiophene-3-carboxylate CAS Name: 2-[[2-(N-(4-methylphenyl)sulfonylanilino)-1-oxoethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 4-phenyl-2-[[2-(N-tosylanilino)acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C28H26N2O5S2 MolecularWeight: 534.64644

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CN(C3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CN(C3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C28H26N2O5S2/c1-3-35-28(32)26-24(21-10-6-4-7-11-21)19-36-27(26)29-25(31)18-30(22-12-8-5-9-13-22)37(33,34)23-16-14-20(2)15-17-23/h4-17,19H,3,18H2,1-2H3,(H,29,31)