3-[[3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]carbonylamino]benzoic acid

Systemtic Name: 3-[[3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]carbonylamino]benzoic acid Openeye Name: 3-[(3-indolin-1-ylsulfonylbenzoyl)amino]benzoic acid CAS Name: 3-[[[3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]amino]benzoic acid Traditional Name: 3-[(3-indolin-1-ylsulfonylbenzoyl)amino]benzoic acid Formula: C22H18N2O5S MolecularWeight: 422.45372

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=CC(=C3)C(=O)NC4=CC=CC(=C4)C(=O)O

Isomeric SMILES

C1CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=CC(=C3)C(=O)NC4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C22H18N2O5S/c25-21(23-18-8-3-7-17(13-18)22(26)27)16-6-4-9-19(14-16)30(28,29)24-12-11-15-5-1-2-10-20(15)24/h1-10,13-14H,11-12H2,(H,23,25)(H,26,27)