2-[[3-[(5-chloranyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]carbonylamino]-5-cyano-benzoic acid

Systemtic Name: 2-[[3-[(5-chloranyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]carbonylamino]-5-cyano-benzoic acid Openeye Name: 2-[[3-(5-chloroindolin-1-yl)sulfonylbenzoyl]amino]-5-cyano-benzoic acid CAS Name: 2-[[[3-[(5-chloro-2,3-dihydroindol-1-yl)sulfonyl]phenyl]-oxomethyl]amino]-5-cyanobenzoic acid IUPAC Name: 2-[[3-[(5-chloro-2,3-dihydroindol-1-yl)sulfonyl]benzoyl]amino]-5-cyanobenzoic acid Traditional Name: 2-[[3-(5-chloroindolin-1-yl)sulfonylbenzoyl]amino]-5-cyano-benzoic acid Formula: C23H16ClN3O5S MolecularWeight: 481.90824

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=C1C=C(C=C2)Cl)S(=O)(=O)C3=CC=CC(=C3)C(=O)NC4=C(C=C(C=C4)C#N)C(=O)O

Isomeric SMILES

C1CN(C2=C1C=C(C=C2)Cl)S(=O)(=O)C3=CC=CC(=C3)C(=O)NC4=C(C=C(C=C4)C#N)C(=O)O

InChI

InChI=1S/C23H16ClN3O5S/c24-17-5-7-21-15(11-17)8-9-27(21)33(31,32)18-3-1-2-16(12-18)22(28)26-20-6-4-14(13-25)10-19(20)23(29)30/h1-7,10-12H,8-9H2,(H,26,28)(H,29,30)