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

Systemtic Name: 2-(3-chlorophenyl)sulfanyl-5-(2,3-dihydroindol-1-ylsulfonyl)benzoic acid Openeye Name: 2-(3-chlorophenyl)sulfanyl-5-indolin-1-ylsulfonyl-benzoic acid CAS Name: 2-[(3-chlorophenyl)thio]-5-(2,3-dihydroindol-1-ylsulfonyl)benzoic acid IUPAC Name: 2-(3-chlorophenyl)sulfanyl-5-(2,3-dihydroindol-1-ylsulfonyl)benzoic acid Traditional Name: 2-[(3-chlorophenyl)thio]-5-indolin-1-ylsulfonyl-benzoic acid Formula: C21H16ClNO4S2 MolecularWeight: 445.93904

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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(=CC=C4)Cl)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H16ClNO4S2/c22-15-5-3-6-16(12-15)28-20-9-8-17(13-18(20)21(24)25)29(26,27)23-11-10-14-4-1-2-7-19(14)23/h1-9,12-13H,10-11H2,(H,24,25)