1-pyridin-3-ylsulfonyl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid

Systemtic Name: 1-pyridin-3-ylsulfonyl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid Openeye Name: 1-(3-pyridylsulfonyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid CAS Name: 1-(3-pyridinylsulfonyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid IUPAC Name: 1-pyridin-3-ylsulfonyl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid Traditional Name: 1-(3-pyridylsulfonyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid Formula: C14H18N2O4S MolecularWeight: 310.36872

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2C(C1)CC(N2S(=O)(=O)C3=CN=CC=C3)C(=O)O

Isomeric SMILES

C1CCC2C(C1)CC(N2S(=O)(=O)C3=CN=CC=C3)C(=O)O

InChI

InChI=1S/C14H18N2O4S/c17-14(18)13-8-10-4-1-2-6-12(10)16(13)21(19,20)11-5-3-7-15-9-11/h3,5,7,9-10,12-13H,1-2,4,6,8H2,(H,17,18)