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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=CC=C2N1)CS(=O)(=O)O)CCCC(=O)OC

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=CC=C2N1)CS(=O)(=O)O)CCCC(=O)OC

InChI

InChI=1S/C17H21NO7S/c1-3-25-17(20)16-12(7-5-9-14(19)24-2)15-11(10-26(21,22)23)6-4-8-13(15)18-16/h4,6,8,18H,3,5,7,9-10H2,1-2H3,(H,21,22,23)