methyl 3-[[4-chloranyl-3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]carbonylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[[4-chloranyl-3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]carbonylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[(4-chloro-3-indolin-1-ylsulfonyl-benzoyl)amino]thiophene-2-carboxylate CAS Name: 3-[[[4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-oxomethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]amino]thiophene-2-carboxylate Traditional Name: 3-[(4-chloro-3-indolin-1-ylsulfonyl-benzoyl)amino]thiophene-2-carboxylic acid methyl ester Formula: C21H17ClN2O5S2 MolecularWeight: 476.95308

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCC4=CC=CC=C43

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCC4=CC=CC=C43

InChI

InChI=1S/C21H17ClN2O5S2/c1-29-21(26)19-16(9-11-30-19)23-20(25)14-6-7-15(22)18(12-14)31(27,28)24-10-8-13-4-2-3-5-17(13)24/h2-7,9,11-12H,8,10H2,1H3,(H,23,25)