methyl 4-[[4-(2,3-dihydroindol-1-ylsulfonyl)-1-methyl-pyrrol-2-yl]carbonylamino]benzoate

Systemtic Name: methyl 4-[[4-(2,3-dihydroindol-1-ylsulfonyl)-1-methyl-pyrrol-2-yl]carbonylamino]benzoate Openeye Name: methyl 4-[(4-indolin-1-ylsulfonyl-1-methyl-pyrrole-2-carbonyl)amino]benzoate CAS Name: 4-[[[4-(2,3-dihydroindol-1-ylsulfonyl)-1-methyl-2-pyrrolyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(2,3-dihydroindol-1-ylsulfonyl)-1-methylpyrrole-2-carbonyl]amino]benzoate Traditional Name: 4-[(4-indolin-1-ylsulfonyl-1-methyl-pyrrole-2-carbonyl)amino]benzoic acid methyl ester Formula: C22H21N3O5S MolecularWeight: 439.48424

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)NC2=CC=C(C=C2)C(=O)OC)S(=O)(=O)N3CCC4=CC=CC=C43

Isomeric SMILES

CN1C=C(C=C1C(=O)NC2=CC=C(C=C2)C(=O)OC)S(=O)(=O)N3CCC4=CC=CC=C43

InChI

InChI=1S/C22H21N3O5S/c1-24-14-18(31(28,29)25-12-11-15-5-3-4-6-19(15)25)13-20(24)21(26)23-17-9-7-16(8-10-17)22(27)30-2/h3-10,13-14H,11-12H2,1-2H3,(H,23,26)