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

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

Systemtic Name:1-[[2-[(4-fluorophenyl)sulfonylamino]-1,3-benzothiazol-6-yl]carbonyl]piperidine-3-carboxylic acid
Openeye Name:1-[2-[(4-fluorophenyl)sulfonylamino]-1,3-benzothiazole-6-carbonyl]piperidine-3-carboxylic acid
CAS Name:1-[[2-[(4-fluorophenyl)sulfonylamino]-1,3-benzothiazol-6-yl]-oxomethyl]-3-piperidinecarboxylic acid
IUPAC Name:1-[2-[(4-fluorophenyl)sulfonylamino]-1,3-benzothiazole-6-carbonyl]piperidine-3-carboxylic acid
Traditional Name:1-[2-[(4-fluorophenyl)sulfonylamino]-1,3-benzothiazole-6-carbonyl]nipecotic acid
Formula: C20H18FN3O5S2
MolecularWeight: 463.502423
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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC3=C(C=C2)N=C(S3)NS(=O)(=O)C4=CC=C(C=C4)F)C(=O)O


Isomeric SMILES

C1CC(CN(C1)C(=O)C2=CC3=C(C=C2)N=C(S3)NS(=O)(=O)C4=CC=C(C=C4)F)C(=O)O


InChI

InChI=1S/C20H18FN3O5S2/c21-14-4-6-15(7-5-14)31(28,29)23-20-22-16-8-3-12(10-17(16)30-20)18(25)24-9-1-2-13(11-24)19(26)27/h3-8,10,13H,1-2,9,11H2,(H,22,23)(H,26,27)


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