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

Systemtic Name: 2-azanyl-3-[3,5-dimethyl-4-[(3-pyridin-4-ylsulfonyl-1H-indol-5-yl)oxy]phenyl]propanoic acid Openeye Name: 2-amino-3-[3,5-dimethyl-4-[[3-(4-pyridylsulfonyl)-1H-indol-5-yl]oxy]phenyl]propanoic acid CAS Name: 2-amino-3-[3,5-dimethyl-4-[(3-pyridin-4-ylsulfonyl-1H-indol-5-yl)oxy]phenyl]propanoic acid IUPAC Name: 2-amino-3-[3,5-dimethyl-4-[(3-pyridin-4-ylsulfonyl-1H-indol-5-yl)oxy]phenyl]propanoic acid Traditional Name: 2-amino-3-[3,5-dimethyl-4-[[3-(4-pyridylsulfonyl)-1H-indol-5-yl]oxy]phenyl]propionic acid Formula: C24H23N3O5S MolecularWeight: 465.52152

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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)CC(C(=O)O)N

Isomeric SMILES

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

InChI

InChI=1S/C24H23N3O5S/c1-14-9-16(11-20(25)24(28)29)10-15(2)23(14)32-17-3-4-21-19(12-17)22(13-27-21)33(30,31)18-5-7-26-8-6-18/h3-10,12-13,20,27H,11,25H2,1-2H3,(H,28,29)