1-(1H-indol-5-ylsulfonyl)piperidine-4-carboxylic acid

Systemtic Name: 1-(1H-indol-5-ylsulfonyl)piperidine-4-carboxylic acid Openeye Name: 1-(1H-indol-5-ylsulfonyl)piperidine-4-carboxylic acid CAS Name: 1-(1H-indol-5-ylsulfonyl)-4-piperidinecarboxylic acid IUPAC Name: 1-(1H-indol-5-ylsulfonyl)piperidine-4-carboxylic acid Traditional Name: 1-(1H-indol-5-ylsulfonyl)isonipecotic acid Formula: C14H16N2O4S MolecularWeight: 308.35284

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)S(=O)(=O)C2=CC3=C(C=C2)NC=C3

Isomeric SMILES

C1CN(CCC1C(=O)O)S(=O)(=O)C2=CC3=C(C=C2)NC=C3

InChI

InChI=1S/C14H16N2O4S/c17-14(18)10-4-7-16(8-5-10)21(19,20)12-1-2-13-11(9-12)3-6-15-13/h1-3,6,9-10,15H,4-5,7-8H2,(H,17,18)