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

Systemtic Name: ethyl 1-[2-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl]piperidine-3-carboxylate CAS Name: 1-[2-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]piperidine-3-carboxylate Traditional Name: 1-[2-keto-2-[(6-mesyl-1,3-benzothiazol-2-yl)amino]ethyl]nipecotic acid ethyl ester Formula: C18H23N3O5S2 MolecularWeight: 425.52232

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)CC(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)CC(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C18H23N3O5S2/c1-3-26-17(23)12-5-4-8-21(10-12)11-16(22)20-18-19-14-7-6-13(28(2,24)25)9-15(14)27-18/h6-7,9,12H,3-5,8,10-11H2,1-2H3,(H,19,20,22)