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

Systemtic Name: 2-[3-(4-chlorophenyl)sulfanyl-2-methyl-4-[(1-methylimidazol-4-yl)sulfonylamino]indol-1-yl]ethanoic acid Openeye Name: 2-[3-(4-chlorophenyl)sulfanyl-2-methyl-4-[(1-methylimidazol-4-yl)sulfonylamino]indol-1-yl]acetic acid CAS Name: 2-[3-[(4-chlorophenyl)thio]-2-methyl-4-[(1-methyl-4-imidazolyl)sulfonylamino]-1-indolyl]acetic acid IUPAC Name: 2-[3-(4-chlorophenyl)sulfanyl-2-methyl-4-[(1-methylimidazol-4-yl)sulfonylamino]indol-1-yl]acetic acid Traditional Name: 2-[3-[(4-chlorophenyl)thio]-2-methyl-4-[(1-methylimidazol-4-yl)sulfonylamino]indol-1-yl]acetic acid Formula: C21H19ClN4O4S2 MolecularWeight: 490.98296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC(=O)O)C=CC=C2NS(=O)(=O)C3=CN(C=N3)C)SC4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=C(C2=C(N1CC(=O)O)C=CC=C2NS(=O)(=O)C3=CN(C=N3)C)SC4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H19ClN4O4S2/c1-13-21(31-15-8-6-14(22)7-9-15)20-16(4-3-5-17(20)26(13)11-19(27)28)24-32(29,30)18-10-25(2)12-23-18/h3-10,12,24H,11H2,1-2H3,(H,27,28)