N-[3-(1,3-benzothiazol-2-yl)phenyl]-1-(phenylsulfonyl)piperidine-4-carboxamide

Systemtic Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-1-(phenylsulfonyl)piperidine-4-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-[3-(1,3-benzothiazol-2-yl)phenyl]piperidine-4-carboxamide CAS Name: 1-(benzenesulfonyl)-N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-piperidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-[3-(1,3-benzothiazol-2-yl)phenyl]piperidine-4-carboxamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-1-besyl-isonipecotamide Formula: C25H23N3O3S2 MolecularWeight: 477.59842

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC=CC(=C2)C3=NC4=CC=CC=C4S3)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC=CC(=C2)C3=NC4=CC=CC=C4S3)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C25H23N3O3S2/c29-24(18-13-15-28(16-14-18)33(30,31)21-9-2-1-3-10-21)26-20-8-6-7-19(17-20)25-27-22-11-4-5-12-23(22)32-25/h1-12,17-18H,13-16H2,(H,26,29)