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

Systemtic Name: 2-methyl-3-(3-methylsulfonylphenyl)carbonyl-5,6,7,8-tetrahydroindolizine-8-carboxylic acid Openeye Name: 2-methyl-3-(3-methylsulfonylbenzoyl)-5,6,7,8-tetrahydroindolizine-8-carboxylic acid CAS Name: 2-methyl-3-[(3-methylsulfonylphenyl)-oxomethyl]-5,6,7,8-tetrahydroindolizine-8-carboxylic acid IUPAC Name: 2-methyl-3-(3-methylsulfonylbenzoyl)-5,6,7,8-tetrahydroindolizine-8-carboxylic acid Traditional Name: 3-(3-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(=CC=C3)S(=O)(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C18H19NO5S/c1-11-9-15-14(18(21)22)7-4-8-19(15)16(11)17(20)12-5-3-6-13(10-12)25(2,23)24/h3,5-6,9-10,14H,4,7-8H2,1-2H3,(H,21,22)