2-(4-bromophenyl)sulfanyl-5-(2,3-dihydroindol-1-ylsulfonyl)benzoic acid

Systemtic Name: 2-(4-bromophenyl)sulfanyl-5-(2,3-dihydroindol-1-ylsulfonyl)benzoic acid Openeye Name: 2-(4-bromophenyl)sulfanyl-5-indolin-1-ylsulfonyl-benzoic acid CAS Name: 2-[(4-bromophenyl)thio]-5-(2,3-dihydroindol-1-ylsulfonyl)benzoic acid IUPAC Name: 2-(4-bromophenyl)sulfanyl-5-(2,3-dihydroindol-1-ylsulfonyl)benzoic acid Traditional Name: 2-[(4-bromophenyl)thio]-5-indolin-1-ylsulfonyl-benzoic acid Formula: C21H16BrNO4S2 MolecularWeight: 490.39004

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C21)S(=O)(=O)C3=CC(=C(C=C3)SC4=CC=C(C=C4)Br)C(=O)O

Isomeric SMILES

C1CN(C2=CC=CC=C21)S(=O)(=O)C3=CC(=C(C=C3)SC4=CC=C(C=C4)Br)C(=O)O

InChI

InChI=1S/C21H16BrNO4S2/c22-15-5-7-16(8-6-15)28-20-10-9-17(13-18(20)21(24)25)29(26,27)23-12-11-14-3-1-2-4-19(14)23/h1-10,13H,11-12H2,(H,24,25)