3-[[3-[(2R)-2-(ethylsulfonylamino)-3-oxidanylidene-propyl]-1H-indol-5-yl]oxymethyl]benzoic acid

Systemtic Name: 3-[[3-[(2R)-2-(ethylsulfonylamino)-3-oxidanylidene-propyl]-1H-indol-5-yl]oxymethyl]benzoic acid Openeye Name: 3-[[3-[(2R)-2-(ethylsulfonylamino)-3-oxo-propyl]-1H-indol-5-yl]oxymethyl]benzoic acid CAS Name: 3-[[3-[(2R)-2-(ethylsulfonylamino)-3-oxopropyl]-1H-indol-5-yl]oxymethyl]benzoic acid IUPAC Name: 3-[[3-[(2R)-2-(ethylsulfonylamino)-3-oxopropyl]-1H-indol-5-yl]oxymethyl]benzoic acid Traditional Name: 3-[[3-[(2R)-2-(esylamino)-3-keto-propyl]-1H-indol-5-yl]oxymethyl]benzoic acid Formula: C21H22N2O6S MolecularWeight: 430.47418

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)NC(CC1=CNC2=C1C=C(C=C2)OCC3=CC=CC(=C3)C(=O)O)C=O

Isomeric SMILES

CCS(=O)(=O)N[C@H](CC1=CNC2=C1C=C(C=C2)OCC3=CC=CC(=C3)C(=O)O)C=O

InChI

InChI=1S/C21H22N2O6S/c1-2-30(27,28)23-17(12-24)9-16-11-22-20-7-6-18(10-19(16)20)29-13-14-4-3-5-15(8-14)21(25)26/h3-8,10-12,17,22-23H,2,9,13H2,1H3,(H,25,26)/t17-/m1/s1