[2-ethoxycarbonyl-3-(4-methoxy-4-oxidanylidene-butyl)-1H-indol-6-yl]methanesulfonic acid

Systemtic Name: [2-ethoxycarbonyl-3-(4-methoxy-4-oxidanylidene-butyl)-1H-indol-6-yl]methanesulfonic acid Openeye Name: [2-ethoxycarbonyl-3-(4-methoxy-4-oxo-butyl)-1H-indol-6-yl]methanesulfonic acid CAS Name: [2-ethoxycarbonyl-3-(4-methoxy-4-oxobutyl)-1H-indol-6-yl]methanesulfonic acid IUPAC Name: [2-ethoxycarbonyl-3-(4-methoxy-4-oxobutyl)-1H-indol-6-yl]methanesulfonic acid Traditional Name: [2-carbethoxy-3-(4-keto-4-methoxy-butyl)-1H-indol-6-yl]methanesulfonic acid Formula: C17H21NO7S MolecularWeight: 383.41614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1)C=C(C=C2)CS(=O)(=O)O)CCCC(=O)OC

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1)C=C(C=C2)CS(=O)(=O)O)CCCC(=O)OC

InChI

InChI=1S/C17H21NO7S/c1-3-25-17(20)16-13(5-4-6-15(19)24-2)12-8-7-11(9-14(12)18-16)10-26(21,22)23/h7-9,18H,3-6,10H2,1-2H3,(H,21,22,23)