1-[2-(4-methylphenyl)sulfonyloxypropanoyl]-2,3,4,5,6,7-hexahydroindole-2-carboxylate

Systemtic Name: 1-[2-(4-methylphenyl)sulfonyloxypropanoyl]-2,3,4,5,6,7-hexahydroindole-2-carboxylate Openeye Name: 1-[2-(p-tolylsulfonyloxy)propanoyl]-2,3,4,5,6,7-hexahydroindole-2-carboxylate CAS Name: 1-[2-(4-methylphenyl)sulfonyloxy-1-oxopropyl]-2,3,4,5,6,7-hexahydroindole-2-carboxylate IUPAC Name: 1-[2-(4-methylphenyl)sulfonyloxypropanoyl]-2,3,4,5,6,7-hexahydroindole-2-carboxylate Traditional Name: 1-(2-tosyloxypropanoyl)-2,3,4,5,6,7-hexahydroindole-2-carboxylate Formula: C19H22NO6S- MolecularWeight: 392.44608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(C)C(=O)N2C(CC3=C2CCCC3)C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(C)C(=O)N2C(CC3=C2CCCC3)C(=O)[O-]

InChI

InChI=1S/C19H23NO6S/c1-12-7-9-15(10-8-12)27(24,25)26-13(2)18(21)20-16-6-4-3-5-14(16)11-17(20)19(22)23/h7-10,13,17H,3-6,11H2,1-2H3,(H,22,23)/p-1