[3-(2-dimethylaminoethyl)-2-ethoxycarbonyl-1H-indol-5-yl]methanesulfonic acid

Systemtic Name: [3-(2-dimethylaminoethyl)-2-ethoxycarbonyl-1H-indol-5-yl]methanesulfonic acid Openeye Name: [3-(2-dimethylaminoethyl)-2-ethoxycarbonyl-1H-indol-5-yl]methanesulfonic acid CAS Name: [3-(2-dimethylaminoethyl)-2-ethoxycarbonyl-1H-indol-5-yl]methanesulfonic acid IUPAC Name: [3-(2-dimethylaminoethyl)-2-ethoxycarbonyl-1H-indol-5-yl]methanesulfonic acid Traditional Name: [2-carbethoxy-3-(2-dimethylaminoethyl)-1H-indol-5-yl]methanesulfonic acid Formula: C16H22N2O5S MolecularWeight: 354.42128

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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

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)CS(=O)(=O)O)CCN(C)C

InChI

InChI=1S/C16H22N2O5S/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)