1-(1,3,6,9a-tetrahydropyrido[3,4-b]indol-2-ylsulfonyl)piperidine-2-carboxylic acid

Systemtic Name: 1-(1,3,6,9a-tetrahydropyrido[3,4-b]indol-2-ylsulfonyl)piperidine-2-carboxylic acid Openeye Name: 1-(1,3,6,9a-tetrahydropyrido[3,4-b]indol-2-ylsulfonyl)piperidine-2-carboxylic acid CAS Name: 1-(1,3,6,9a-tetrahydropyrido[3,4-b]indol-2-ylsulfonyl)-2-piperidinecarboxylic acid IUPAC Name: 1-(1,3,6,9a-tetrahydropyrido[3,4-b]indol-2-ylsulfonyl)piperidine-2-carboxylic acid Traditional Name: 1-(1,3,6,9a-tetrahydro-$b-carbolin-2-ylsulfonyl)pipecolinic acid Formula: C17H21N3O4S MolecularWeight: 363.43134

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)O)S(=O)(=O)N2CC=C3C(C2)N=C4C3=CCC=C4

Isomeric SMILES

C1CCN(C(C1)C(=O)O)S(=O)(=O)N2CC=C3C(C2)N=C4C3=CCC=C4

InChI

InChI=1S/C17H21N3O4S/c21-17(22)16-7-3-4-9-20(16)25(23,24)19-10-8-13-12-5-1-2-6-14(12)18-15(13)11-19/h2,5-6,8,15-16H,1,3-4,7,9-11H2,(H,21,22)