3-(4-chloranyl-2-methoxycarbonyl-indol-1-yl)propane-1-sulfonic acid

Systemtic Name: 3-(4-chloranyl-2-methoxycarbonyl-indol-1-yl)propane-1-sulfonic acid Openeye Name: 3-(4-chloro-2-methoxycarbonyl-indol-1-yl)propane-1-sulfonic acid CAS Name: 3-(4-chloro-2-methoxycarbonyl-1-indolyl)-1-propanesulfonic acid IUPAC Name: 3-(4-chloro-2-methoxycarbonylindol-1-yl)propane-1-sulfonic acid Traditional Name: 3-(2-carbomethoxy-4-chloro-indol-1-yl)propane-1-sulfonic acid Formula: C13H14ClNO5S MolecularWeight: 331.77196

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(N1CCCS(=O)(=O)O)C=CC=C2Cl

Isomeric SMILES

COC(=O)C1=CC2=C(N1CCCS(=O)(=O)O)C=CC=C2Cl

InChI

InChI=1S/C13H14ClNO5S/c1-20-13(16)12-8-9-10(14)4-2-5-11(9)15(12)6-3-7-21(17,18)19/h2,4-5,8H,3,6-7H2,1H3,(H,17,18,19)