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

Systemtic Name: ethyl 4-[3-[(2-ethyl-3-oxidanylidene-4H-1,4-benzothiazin-6-yl)sulfonyl]propanoylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[3-[(2-ethyl-3-oxo-4H-1,4-benzothiazin-6-yl)sulfonyl]propanoylamino]piperidine-1-carboxylate CAS Name: 4-[[3-[(2-ethyl-3-oxo-4H-1,4-benzothiazin-6-yl)sulfonyl]-1-oxopropyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-[(2-ethyl-3-oxo-4H-1,4-benzothiazin-6-yl)sulfonyl]propanoylamino]piperidine-1-carboxylate Traditional Name: 4-[3-[(2-ethyl-3-keto-4H-1,4-benzothiazin-6-yl)sulfonyl]propanoylamino]piperidine-1-carboxylic acid ethyl ester Formula: C21H29N3O6S2 MolecularWeight: 483.60146

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)NC2=C(S1)C=CC(=C2)S(=O)(=O)CCC(=O)NC3CCN(CC3)C(=O)OCC

Isomeric SMILES

CCC1C(=O)NC2=C(S1)C=CC(=C2)S(=O)(=O)CCC(=O)NC3CCN(CC3)C(=O)OCC

InChI

InChI=1S/C21H29N3O6S2/c1-3-17-20(26)23-16-13-15(5-6-18(16)31-17)32(28,29)12-9-19(25)22-14-7-10-24(11-8-14)21(27)30-4-2/h5-6,13-14,17H,3-4,7-12H2,1-2H3,(H,22,25)(H,23,26)