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

Systemtic Name: 2-[3-(3-chlorophenyl)sulfanyl-2-methyl-4-(methylsulfonylamino)indol-1-yl]ethanoic acid Openeye Name: 2-[3-(3-chlorophenyl)sulfanyl-4-(methanesulfonamido)-2-methyl-indol-1-yl]acetic acid CAS Name: 2-[3-[(3-chlorophenyl)thio]-4-(methanesulfonamido)-2-methyl-1-indolyl]acetic acid IUPAC Name: 2-[3-(3-chlorophenyl)sulfanyl-4-(methanesulfonamido)-2-methylindol-1-yl]acetic acid Traditional Name: 2-[3-[(3-chlorophenyl)thio]-4-(methanesulfonamido)-2-methyl-indol-1-yl]acetic acid Formula: C18H17ClN2O4S2 MolecularWeight: 424.92158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClN2O4S2/c1-11-18(26-13-6-3-5-12(19)9-13)17-14(20-27(2,24)25)7-4-8-15(17)21(11)10-16(22)23/h3-9,20H,10H2,1-2H3,(H,22,23)