2-[3-(4-chlorophenyl)sulfanyl-4-(dimethylsulfamoylamino)-2-methyl-indol-1-yl]ethanoic acid

Systemtic Name: 2-[3-(4-chlorophenyl)sulfanyl-4-(dimethylsulfamoylamino)-2-methyl-indol-1-yl]ethanoic acid Openeye Name: 2-[3-(4-chlorophenyl)sulfanyl-4-(dimethylsulfamoylamino)-2-methyl-indol-1-yl]acetic acid CAS Name: 2-[3-[(4-chlorophenyl)thio]-4-(dimethylsulfamoylamino)-2-methyl-1-indolyl]acetic acid IUPAC Name: 2-[3-(4-chlorophenyl)sulfanyl-4-(dimethylsulfamoylamino)-2-methylindol-1-yl]acetic acid Traditional Name: 2-[3-[(4-chlorophenyl)thio]-4-(dimethylsulfamoylamino)-2-methyl-indol-1-yl]acetic acid Formula: C19H20ClN3O4S2 MolecularWeight: 453.9628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC(=O)O)C=CC=C2NS(=O)(=O)N(C)C)SC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=C(C2=C(N1CC(=O)O)C=CC=C2NS(=O)(=O)N(C)C)SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H20ClN3O4S2/c1-12-19(28-14-9-7-13(20)8-10-14)18-15(21-29(26,27)22(2)3)5-4-6-16(18)23(12)11-17(24)25/h4-10,21H,11H2,1-3H3,(H,24,25)