ethyl 3-[2-[4-(2,3-dihydroindol-1-ylsulfonyl)imidazol-1-yl]ethanoylamino]benzoate

Systemtic Name: ethyl 3-[2-[4-(2,3-dihydroindol-1-ylsulfonyl)imidazol-1-yl]ethanoylamino]benzoate Openeye Name: ethyl 3-[[2-(4-indolin-1-ylsulfonylimidazol-1-yl)acetyl]amino]benzoate CAS Name: 3-[[2-[4-(2,3-dihydroindol-1-ylsulfonyl)-1-imidazolyl]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[4-(2,3-dihydroindol-1-ylsulfonyl)imidazol-1-yl]acetyl]amino]benzoate Traditional Name: 3-[[2-(4-indolin-1-ylsulfonylimidazol-1-yl)acetyl]amino]benzoic acid ethyl ester Formula: C22H22N4O5S MolecularWeight: 454.49888

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)CN2C=C(N=C2)S(=O)(=O)N3CCC4=CC=CC=C43

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)CN2C=C(N=C2)S(=O)(=O)N3CCC4=CC=CC=C43

InChI

InChI=1S/C22H22N4O5S/c1-2-31-22(28)17-7-5-8-18(12-17)24-20(27)13-25-14-21(23-15-25)32(29,30)26-11-10-16-6-3-4-9-19(16)26/h3-9,12,14-15H,2,10-11,13H2,1H3,(H,24,27)