2-methyl-3-(4-methylsulfonylphenyl)carbonyl-5,6,7,8-tetrahydroindolizine-8-carboxylic acid

Systemtic Name: 2-methyl-3-(4-methylsulfonylphenyl)carbonyl-5,6,7,8-tetrahydroindolizine-8-carboxylic acid Openeye Name: 2-methyl-3-(4-methylsulfonylbenzoyl)-5,6,7,8-tetrahydroindolizine-8-carboxylic acid CAS Name: 2-methyl-3-[(4-methylsulfonylphenyl)-oxomethyl]-5,6,7,8-tetrahydroindolizine-8-carboxylic acid IUPAC Name: 2-methyl-3-(4-methylsulfonylbenzoyl)-5,6,7,8-tetrahydroindolizine-8-carboxylic acid Traditional Name: 3-(4-mesylbenzoyl)-2-methyl-5,6,7,8-tetrahydroindolizine-8-carboxylic acid Formula: C18H19NO5S MolecularWeight: 361.41216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2CCCC(C2=C1)C(=O)O)C(=O)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC1=C(N2CCCC(C2=C1)C(=O)O)C(=O)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C18H19NO5S/c1-11-10-15-14(18(21)22)4-3-9-19(15)16(11)17(20)12-5-7-13(8-6-12)25(2,23)24/h5-8,10,14H,3-4,9H2,1-2H3,(H,21,22)