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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=C(NC2=CC=CC(=C21)CS(=O)(=O)O)C(=O)OCC

Isomeric SMILES

CCOC(=O)CCC1=C(NC2=CC=CC(=C21)CS(=O)(=O)O)C(=O)OCC

InChI

InChI=1S/C17H21NO7S/c1-3-24-14(19)9-8-12-15-11(10-26(21,22)23)6-5-7-13(15)18-16(12)17(20)25-4-2/h5-7,18H,3-4,8-10H2,1-2H3,(H,21,22,23)