2-[2,3-bis(oxidanylidene)-5-[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]sulfonyl-indol-1-yl]ethanoic acid

Systemtic Name: 2-[2,3-bis(oxidanylidene)-5-[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]sulfonyl-indol-1-yl]ethanoic acid Openeye Name: 2-[2,3-dioxo-5-[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]sulfonyl-indolin-1-yl]acetic acid CAS Name: 2-[2,3-dioxo-5-[[(2S)-2-(phenoxymethyl)-1-pyrrolidinyl]sulfonyl]-1-indolyl]acetic acid IUPAC Name: 2-[2,3-dioxo-5-[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]sulfonylindol-1-yl]acetic acid Traditional Name: 2-[2,3-diketo-5-[(2S)-2-(phenoxymethyl)pyrrolidino]sulfonyl-indolin-1-yl]acetic acid Formula: C21H20N2O7S MolecularWeight: 444.4577

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)C3=O)CC(=O)O)COC4=CC=CC=C4

Isomeric SMILES

C1C[C@H](N(C1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)C3=O)CC(=O)O)COC4=CC=CC=C4

InChI

InChI=1S/C21H20N2O7S/c24-19(25)12-22-18-9-8-16(11-17(18)20(26)21(22)27)31(28,29)23-10-4-5-14(23)13-30-15-6-2-1-3-7-15/h1-3,6-9,11,14H,4-5,10,12-13H2,(H,24,25)/t14-/m0/s1