ethyl 1-[[2-[(4-fluorophenyl)sulfonylamino]-1,3-benzothiazol-6-yl]carbonyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[[2-[(4-fluorophenyl)sulfonylamino]-1,3-benzothiazol-6-yl]carbonyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[(4-fluorophenyl)sulfonylamino]-1,3-benzothiazole-6-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[2-[(4-fluorophenyl)sulfonylamino]-1,3-benzothiazol-6-yl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[(4-fluorophenyl)sulfonylamino]-1,3-benzothiazole-6-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(4-fluorophenyl)sulfonylamino]-1,3-benzothiazole-6-carbonyl]isonipecotic acid ethyl ester Formula: C22H22FN3O5S2 MolecularWeight: 491.555583

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=CC3=C(C=C2)N=C(S3)NS(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=CC3=C(C=C2)N=C(S3)NS(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H22FN3O5S2/c1-2-31-21(28)14-9-11-26(12-10-14)20(27)15-3-8-18-19(13-15)32-22(24-18)25-33(29,30)17-6-4-16(23)5-7-17/h3-8,13-14H,2,9-12H2,1H3,(H,24,25)