4-phenyl-1-(10H-pyrazino[2,3-b][1,4]benzothiazin-8-ylmethyl)piperidine-4-carboxylic acid

Systemtic Name: 4-phenyl-1-(10H-pyrazino[2,3-b][1,4]benzothiazin-8-ylmethyl)piperidine-4-carboxylic acid Openeye Name: 4-phenyl-1-(10H-pyrazino[2,3-b][1,4]benzothiazin-8-ylmethyl)piperidine-4-carboxylic acid CAS Name: 4-phenyl-1-(10H-pyrazino[2,3-b][1,4]benzothiazin-8-ylmethyl)-4-piperidinecarboxylic acid IUPAC Name: 4-phenyl-1-(10H-pyrazino[2,3-b][1,4]benzothiazin-8-ylmethyl)piperidine-4-carboxylic acid Traditional Name: 4-phenyl-1-(10H-pyrazino[2,3-b][1,4]benzothiazin-8-ylmethyl)isonipecotic acid Formula: C23H22N4O2S MolecularWeight: 418.51138

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C2=CC=CC=C2)C(=O)O)CC3=CC4=C(C=C3)SC5=NC=CN=C5N4

Isomeric SMILES

C1CN(CCC1(C2=CC=CC=C2)C(=O)O)CC3=CC4=C(C=C3)SC5=NC=CN=C5N4

InChI

InChI=1S/C23H22N4O2S/c28-22(29)23(17-4-2-1-3-5-17)8-12-27(13-9-23)15-16-6-7-19-18(14-16)26-20-21(30-19)25-11-10-24-20/h1-7,10-11,14H,8-9,12-13,15H2,(H,24,26)(H,28,29)