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

Systemtic Name: 2-azanyl-2-[3,5-dimethyl-4-[(3-pyridin-4-ylsulfonyl-1H-indol-5-yl)oxy]phenyl]ethanoic acid Openeye Name: 2-amino-2-[3,5-dimethyl-4-[[3-(4-pyridylsulfonyl)-1H-indol-5-yl]oxy]phenyl]acetic acid CAS Name: 2-amino-2-[3,5-dimethyl-4-[(3-pyridin-4-ylsulfonyl-1H-indol-5-yl)oxy]phenyl]acetic acid IUPAC Name: 2-amino-2-[3,5-dimethyl-4-[(3-pyridin-4-ylsulfonyl-1H-indol-5-yl)oxy]phenyl]acetic acid Traditional Name: 2-amino-2-[3,5-dimethyl-4-[[3-(4-pyridylsulfonyl)-1H-indol-5-yl]oxy]phenyl]acetic acid Formula: C23H21N3O5S MolecularWeight: 451.49494

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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)C(C(=O)O)N

Isomeric SMILES

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

InChI

InChI=1S/C23H21N3O5S/c1-13-9-15(21(24)23(27)28)10-14(2)22(13)31-16-3-4-19-18(11-16)20(12-26-19)32(29,30)17-5-7-25-8-6-17/h3-12,21,26H,24H2,1-2H3,(H,27,28)