methyl 5-phenyl-3-[4-(phenylsulfonyl)butanoylamino]thiophene-2-carboxylate

Systemtic Name: methyl 5-phenyl-3-[4-(phenylsulfonyl)butanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[4-(benzenesulfonyl)butanoylamino]-5-phenyl-thiophene-2-carboxylate CAS Name: 3-[[4-(benzenesulfonyl)-1-oxobutyl]amino]-5-phenyl-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[4-(benzenesulfonyl)butanoylamino]-5-phenylthiophene-2-carboxylate Traditional Name: 3-(4-besylbutanoylamino)-5-phenyl-thiophene-2-carboxylic acid methyl ester Formula: C22H21NO5S2 MolecularWeight: 443.53584

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)CCCS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)CCCS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H21NO5S2/c1-28-22(25)21-18(15-19(29-21)16-9-4-2-5-10-16)23-20(24)13-8-14-30(26,27)17-11-6-3-7-12-17/h2-7,9-12,15H,8,13-14H2,1H3,(H,23,24)