sodium [2-ethoxycarbonyl-3-(3-methoxy-3-oxidanylidene-propyl)-1H-indol-5-yl]methanesulfonate

Systemtic Name: sodium [2-ethoxycarbonyl-3-(3-methoxy-3-oxidanylidene-propyl)-1H-indol-5-yl]methanesulfonate Openeye Name: sodium [2-ethoxycarbonyl-3-(3-methoxy-3-oxo-propyl)-1H-indol-5-yl]methanesulfonate CAS Name: sodium [2-ethoxycarbonyl-3-(3-methoxy-3-oxopropyl)-1H-indol-5-yl]methanesulfonate IUPAC Name: sodium [2-ethoxycarbonyl-3-(3-methoxy-3-oxopropyl)-1H-indol-5-yl]methanesulfonate Traditional Name: sodium [2-carbethoxy-3-(3-keto-3-methoxy-propyl)-1H-indol-5-yl]methanesulfonate Formula: C16H18NNaO7S MolecularWeight: 391.37139

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)CS(=O)(=O)[O-])CCC(=O)OC.[Na+]

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)CS(=O)(=O)[O-])CCC(=O)OC.[Na+]

InChI

InChI=1S/C16H19NO7S.Na/c1-3-24-16(19)15-11(5-7-14(18)23-2)12-8-10(9-25(20,21)22)4-6-13(12)17-15;/h4,6,8,17H,3,5,7,9H2,1-2H3,(H,20,21,22);/q;+1/p-1