ethyl 1-[4-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]-4-oxidanylidene-butanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[4-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]-4-oxidanylidene-butanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[4-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]-4-oxo-butanoyl]piperidine-4-carboxylate CAS Name: 1-[4-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]-1,4-dioxobutyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]-4-oxobutanoyl]piperidine-4-carboxylate Traditional Name: 1-[4-keto-4-[(6-mesyl-1,3-benzothiazol-2-yl)amino]butanoyl]isonipecotic acid ethyl ester Formula: C20H25N3O6S2 MolecularWeight: 467.559

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)CCC(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)CCC(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C20H25N3O6S2/c1-3-29-19(26)13-8-10-23(11-9-13)18(25)7-6-17(24)22-20-21-15-5-4-14(31(2,27)28)12-16(15)30-20/h4-5,12-13H,3,6-11H2,1-2H3,(H,21,22,24)