2-[3-(2-azanyl-2-oxidanylidene-ethyl)-2-methyl-7-(methylsulfonylamino)-1-(phenylmethyl)indol-4-yl]oxyethanoic acid

Systemtic Name: 2-[3-(2-azanyl-2-oxidanylidene-ethyl)-2-methyl-7-(methylsulfonylamino)-1-(phenylmethyl)indol-4-yl]oxyethanoic acid Openeye Name: 2-[3-(2-amino-2-oxo-ethyl)-1-benzyl-7-(methanesulfonamido)-2-methyl-indol-4-yl]oxyacetic acid CAS Name: 2-[[3-(2-amino-2-oxoethyl)-7-(methanesulfonamido)-2-methyl-1-(phenylmethyl)-4-indolyl]oxy]acetic acid IUPAC Name: 2-[3-(2-amino-2-oxoethyl)-1-benzyl-7-(methanesulfonamido)-2-methylindol-4-yl]oxyacetic acid Traditional Name: 2-[3-(2-amino-2-keto-ethyl)-1-benzyl-7-(methanesulfonamido)-2-methyl-indol-4-yl]oxyacetic acid Formula: C21H23N3O6S MolecularWeight: 445.48882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=CC(=C2N1CC3=CC=CC=C3)NS(=O)(=O)C)OCC(=O)O)CC(=O)N

Isomeric SMILES

CC1=C(C2=C(C=CC(=C2N1CC3=CC=CC=C3)NS(=O)(=O)C)OCC(=O)O)CC(=O)N

InChI

InChI=1S/C21H23N3O6S/c1-13-15(10-18(22)25)20-17(30-12-19(26)27)9-8-16(23-31(2,28)29)21(20)24(13)11-14-6-4-3-5-7-14/h3-9,23H,10-12H2,1-2H3,(H2,22,25)(H,26,27)