sodium [3-(2-dimethylaminoethyl)-2-ethoxycarbonyl-1H-indol-5-yl]methanesulfonate

Systemtic Name: sodium [3-(2-dimethylaminoethyl)-2-ethoxycarbonyl-1H-indol-5-yl]methanesulfonate Openeye Name: sodium [3-(2-dimethylaminoethyl)-2-ethoxycarbonyl-1H-indol-5-yl]methanesulfonate CAS Name: sodium [3-(2-dimethylaminoethyl)-2-ethoxycarbonyl-1H-indol-5-yl]methanesulfonate IUPAC Name: sodium [3-(2-dimethylaminoethyl)-2-ethoxycarbonyl-1H-indol-5-yl]methanesulfonate Traditional Name: sodium [2-carbethoxy-3-(2-dimethylaminoethyl)-1H-indol-5-yl]methanesulfonate Formula: C16H21N2NaO5S MolecularWeight: 376.40311

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O5S.Na/c1-4-23-16(19)15-12(7-8-18(2)3)13-9-11(10-24(20,21)22)5-6-14(13)17-15;/h5-6,9,17H,4,7-8,10H2,1-3H3,(H,20,21,22);/q;+1/p-1