1-[(2-oxidanylidene-3-propyl-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)O)SC1=O

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)O)SC1=O

InChI

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