N-benzo[e][1,3]benzothiazol-2-yl-1-(4-fluorophenyl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: N-benzo[e][1,3]benzothiazol-2-yl-1-(4-fluorophenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: N-benzo[e][1,3]benzothiazol-2-yl-1-(4-fluorophenyl)sulfonyl-piperidine-3-carboxamide CAS Name: N-(2-benzo[e][1,3]benzothiazolyl)-1-(4-fluorophenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: N-benzo[e][1,3]benzothiazol-2-yl-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide Traditional Name: N-benzo[e][1,3]benzothiazol-2-yl-1-(4-fluorophenyl)sulfonyl-nipecotamide Formula: C23H20FN3O3S2 MolecularWeight: 469.551603

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)NC3=NC4=C(S3)C=CC5=CC=CC=C54

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)NC3=NC4=C(S3)C=CC5=CC=CC=C54

InChI

InChI=1S/C23H20FN3O3S2/c24-17-8-10-18(11-9-17)32(29,30)27-13-3-5-16(14-27)22(28)26-23-25-21-19-6-2-1-4-15(19)7-12-20(21)31-23/h1-2,4,6-12,16H,3,5,13-14H2,(H,25,26,28)