[3,5-dimethyl-4-[(3-pyridin-4-ylsulfonyl-1H-indol-5-yl)oxy]phenyl]methanesulfonic acid

Systemtic Name: [3,5-dimethyl-4-[(3-pyridin-4-ylsulfonyl-1H-indol-5-yl)oxy]phenyl]methanesulfonic acid Openeye Name: [3,5-dimethyl-4-[[3-(4-pyridylsulfonyl)-1H-indol-5-yl]oxy]phenyl]methanesulfonic acid CAS Name: [3,5-dimethyl-4-[(3-pyridin-4-ylsulfonyl-1H-indol-5-yl)oxy]phenyl]methanesulfonic acid IUPAC Name: [3,5-dimethyl-4-[(3-pyridin-4-ylsulfonyl-1H-indol-5-yl)oxy]phenyl]methanesulfonic acid Traditional Name: [3,5-dimethyl-4-[[3-(4-pyridylsulfonyl)-1H-indol-5-yl]oxy]phenyl]methanesulfonic acid Formula: C22H20N2O6S2 MolecularWeight: 472.534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC2=CC3=C(C=C2)NC=C3S(=O)(=O)C4=CC=NC=C4)C)CS(=O)(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1OC2=CC3=C(C=C2)NC=C3S(=O)(=O)C4=CC=NC=C4)C)CS(=O)(=O)O

InChI

InChI=1S/C22H20N2O6S2/c1-14-9-16(13-31(25,26)27)10-15(2)22(14)30-17-3-4-20-19(11-17)21(12-24-20)32(28,29)18-5-7-23-8-6-18/h3-12,24H,13H2,1-2H3,(H,25,26,27)