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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)C4=NC5=CC=CC=C5S4

InChI

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