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

Systemtic Name: [3,5-dimethyl-4-[[3-(phenylsulfonyl)-1H-indol-5-yl]oxy]phenyl]methanesulfonic acid Openeye Name: [4-[[3-(benzenesulfonyl)-1H-indol-5-yl]oxy]-3,5-dimethyl-phenyl]methanesulfonic acid CAS Name: [4-[[3-(benzenesulfonyl)-1H-indol-5-yl]oxy]-3,5-dimethylphenyl]methanesulfonic acid IUPAC Name: [4-[[3-(benzenesulfonyl)-1H-indol-5-yl]oxy]-3,5-dimethylphenyl]methanesulfonic acid Traditional Name: [4-[(3-besyl-1H-indol-5-yl)oxy]-3,5-dimethyl-phenyl]methanesulfonic acid Formula: C23H21NO6S2 MolecularWeight: 471.54594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21NO6S2/c1-15-10-17(14-31(25,26)27)11-16(2)23(15)30-18-8-9-21-20(12-18)22(13-24-21)32(28,29)19-6-4-3-5-7-19/h3-13,24H,14H2,1-2H3,(H,25,26,27)