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

Systemtic Name: 2-methyl-3-(4-propan-2-ylsulfonylphenyl)carbonyl-5,6,7,8-tetrahydroindolizine-8-carboxylic acid Openeye Name: 3-(4-isopropylsulfonylbenzoyl)-2-methyl-5,6,7,8-tetrahydroindolizine-8-carboxylic acid CAS Name: 2-methyl-3-[oxo-(4-propan-2-ylsulfonylphenyl)methyl]-5,6,7,8-tetrahydroindolizine-8-carboxylic acid IUPAC Name: 2-methyl-3-(4-propan-2-ylsulfonylbenzoyl)-5,6,7,8-tetrahydroindolizine-8-carboxylic acid Traditional Name: 3-(4-isopropylsulfonylbenzoyl)-2-methyl-5,6,7,8-tetrahydroindolizine-8-carboxylic acid Formula: C20H23NO5S MolecularWeight: 389.46532

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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(C)C

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO5S/c1-12(2)27(25,26)15-8-6-14(7-9-15)19(22)18-13(3)11-17-16(20(23)24)5-4-10-21(17)18/h6-9,11-12,16H,4-5,10H2,1-3H3,(H,23,24)