1-[(2-ethyl-3-oxidanylidene-4H-1,4-benzothiazin-6-yl)sulfonyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(2-ethyl-3-oxidanylidene-4H-1,4-benzothiazin-6-yl)sulfonyl]piperidine-4-carboxylic acid Openeye Name: 1-[(2-ethyl-3-oxo-4H-1,4-benzothiazin-6-yl)sulfonyl]piperidine-4-carboxylic acid CAS Name: 1-[(2-ethyl-3-oxo-4H-1,4-benzothiazin-6-yl)sulfonyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2-ethyl-3-oxo-4H-1,4-benzothiazin-6-yl)sulfonyl]piperidine-4-carboxylic acid Traditional Name: 1-[(2-ethyl-3-keto-4H-1,4-benzothiazin-6-yl)sulfonyl]isonipecotic acid Formula: C16H20N2O5S2 MolecularWeight: 384.4704

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)NC2=C(S1)C=CC(=C2)S(=O)(=O)N3CCC(CC3)C(=O)O

Isomeric SMILES

CCC1C(=O)NC2=C(S1)C=CC(=C2)S(=O)(=O)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C16H20N2O5S2/c1-2-13-15(19)17-12-9-11(3-4-14(12)24-13)25(22,23)18-7-5-10(6-8-18)16(20)21/h3-4,9-10,13H,2,5-8H2,1H3,(H,17,19)(H,20,21)