methyl 4-[[(4-chlorophenyl)-(4-methylphenyl)sulfonyl-carbamoyl]carbamoylamino]-2,3-dihydrothiophene-5-carboxylate

Systemtic Name: methyl 4-[[(4-chlorophenyl)-(4-methylphenyl)sulfonyl-carbamoyl]carbamoylamino]-2,3-dihydrothiophene-5-carboxylate Openeye Name: methyl 4-[[(4-chlorophenyl)-(p-tolylsulfonyl)carbamoyl]carbamoylamino]-2,3-dihydrothiophene-5-carboxylate CAS Name: 4-[[[[(4-chloro-N-(4-methylphenyl)sulfonylanilino)-oxomethyl]amino]-oxomethyl]amino]-2,3-dihydrothiophene-5-carboxylic acid methyl ester IUPAC Name: methyl 4-[[(4-chlorophenyl)-(4-methylphenyl)sulfonylcarbamoyl]carbamoylamino]-2,3-dihydrothiophene-5-carboxylate Traditional Name: 4-[[(4-chlorophenyl)-tosyl-carbamoyl]carbamoylamino]-2,3-dihydrothiophene-5-carboxylic acid methyl ester Formula: C21H20ClN3O6S2 MolecularWeight: 509.983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C2=CC=C(C=C2)Cl)C(=O)NC(=O)NC3=C(SCC3)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C2=CC=C(C=C2)Cl)C(=O)NC(=O)NC3=C(SCC3)C(=O)OC

InChI

InChI=1S/C21H20ClN3O6S2/c1-13-3-9-16(10-4-13)33(29,30)25(15-7-5-14(22)6-8-15)21(28)24-20(27)23-17-11-12-32-18(17)19(26)31-2/h3-10H,11-12H2,1-2H3,(H2,23,24,27,28)