methyl 4-[[2-[3-(phenylsulfonyl)propanoylamino]phenyl]amino]-2,5-dihydrothiophene-3-carboxylate

Systemtic Name: methyl 4-[[2-[3-(phenylsulfonyl)propanoylamino]phenyl]amino]-2,5-dihydrothiophene-3-carboxylate Openeye Name: methyl 4-[2-[3-(benzenesulfonyl)propanoylamino]anilino]-2,5-dihydrothiophene-3-carboxylate CAS Name: 4-[2-[[3-(benzenesulfonyl)-1-oxopropyl]amino]anilino]-2,5-dihydrothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 4-[2-[3-(benzenesulfonyl)propanoylamino]anilino]-2,5-dihydrothiophene-3-carboxylate Traditional Name: 4-[2-(3-besylpropanoylamino)anilino]-2,5-dihydrothiophene-3-carboxylic acid methyl ester Formula: C21H22N2O5S2 MolecularWeight: 446.53978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(CSC1)NC2=CC=CC=C2NC(=O)CCS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C(CSC1)NC2=CC=CC=C2NC(=O)CCS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H22N2O5S2/c1-28-21(25)16-13-29-14-19(16)22-17-9-5-6-10-18(17)23-20(24)11-12-30(26,27)15-7-3-2-4-8-15/h2-10,22H,11-14H2,1H3,(H,23,24)