2-[3-(7-chloranylquinolin-4-yl)-2-methyl-5-(methylsulfonylamino)indol-1-yl]ethanoic acid

Systemtic Name: 2-[3-(7-chloranylquinolin-4-yl)-2-methyl-5-(methylsulfonylamino)indol-1-yl]ethanoic acid Openeye Name: 2-[3-(7-chloro-4-quinolyl)-5-(methanesulfonamido)-2-methyl-indol-1-yl]acetic acid CAS Name: 2-[3-(7-chloro-4-quinolinyl)-5-(methanesulfonamido)-2-methyl-1-indolyl]acetic acid IUPAC Name: 2-[3-(7-chloroquinolin-4-yl)-5-(methanesulfonamido)-2-methylindol-1-yl]acetic acid Traditional Name: 2-[3-(7-chloro-4-quinolyl)-5-(methanesulfonamido)-2-methyl-indol-1-yl]acetic acid Formula: C21H18ClN3O4S MolecularWeight: 443.90332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC(=O)O)C=CC(=C2)NS(=O)(=O)C)C3=C4C=CC(=CC4=NC=C3)Cl

Isomeric SMILES

CC1=C(C2=C(N1CC(=O)O)C=CC(=C2)NS(=O)(=O)C)C3=C4C=CC(=CC4=NC=C3)Cl

InChI

InChI=1S/C21H18ClN3O4S/c1-12-21(16-7-8-23-18-9-13(22)3-5-15(16)18)17-10-14(24-30(2,28)29)4-6-19(17)25(12)11-20(26)27/h3-10,24H,11H2,1-2H3,(H,26,27)