(3R)-1-[(1-methylsulfonyl-2,3-dihydroindol-5-yl)carbonyl]piperidine-3-carboxylic acid

Systemtic Name: (3R)-1-[(1-methylsulfonyl-2,3-dihydroindol-5-yl)carbonyl]piperidine-3-carboxylic acid Openeye Name: (3R)-1-(1-methylsulfonylindoline-5-carbonyl)piperidine-3-carboxylic acid CAS Name: (3R)-1-[(1-methylsulfonyl-2,3-dihydroindol-5-yl)-oxomethyl]-3-piperidinecarboxylic acid IUPAC Name: (3R)-1-(1-methylsulfonyl-2,3-dihydroindole-5-carbonyl)piperidine-3-carboxylic acid Traditional Name: (3R)-1-(1-mesylindoline-5-carbonyl)nipecotic acid Formula: C16H20N2O5S MolecularWeight: 352.4054

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC2=C1C=CC(=C2)C(=O)N3CCCC(C3)C(=O)O

Isomeric SMILES

CS(=O)(=O)N1CCC2=C1C=CC(=C2)C(=O)N3CCC[C@H](C3)C(=O)O

InChI

InChI=1S/C16H20N2O5S/c1-24(22,23)18-8-6-11-9-12(4-5-14(11)18)15(19)17-7-2-3-13(10-17)16(20)21/h4-5,9,13H,2-3,6-8,10H2,1H3,(H,20,21)/t13-/m1/s1