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

Systemtic Name: 2-azanyl-3-[3,5-dimethyl-4-[[3-(phenylsulfonyl)-1H-indol-5-yl]oxy]phenyl]propanoic acid Openeye Name: 2-amino-3-[4-[[3-(benzenesulfonyl)-1H-indol-5-yl]oxy]-3,5-dimethyl-phenyl]propanoic acid CAS Name: 2-amino-3-[4-[[3-(benzenesulfonyl)-1H-indol-5-yl]oxy]-3,5-dimethylphenyl]propanoic acid IUPAC Name: 2-amino-3-[4-[[3-(benzenesulfonyl)-1H-indol-5-yl]oxy]-3,5-dimethylphenyl]propanoic acid Traditional Name: 2-amino-3-[4-[(3-besyl-1H-indol-5-yl)oxy]-3,5-dimethyl-phenyl]propionic acid Formula: C25H24N2O5S MolecularWeight: 464.53346

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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)CC(C(=O)O)N

Isomeric SMILES

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

InChI

InChI=1S/C25H24N2O5S/c1-15-10-17(12-21(26)25(28)29)11-16(2)24(15)32-18-8-9-22-20(13-18)23(14-27-22)33(30,31)19-6-4-3-5-7-19/h3-11,13-14,21,27H,12,26H2,1-2H3,(H,28,29)