N-(1,3-benzothiazol-2-yl)-1-(phenylsulfonyl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-1-(phenylsulfonyl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-(1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)piperidine-3-carboxamide CAS Name: 1-(benzenesulfonyl)-N-(1,3-benzothiazol-2-yl)-N-(2-pyridinylmethyl)-3-piperidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-(1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide Traditional Name: N-(1,3-benzothiazol-2-yl)-1-besyl-N-(2-pyridylmethyl)nipecotamide Formula: C25H24N4O3S2 MolecularWeight: 492.61306

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)N(CC3=CC=CC=N3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)N(CC3=CC=CC=N3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H24N4O3S2/c30-24(19-9-8-16-28(17-19)34(31,32)21-11-2-1-3-12-21)29(18-20-10-6-7-15-26-20)25-27-22-13-4-5-14-23(22)33-25/h1-7,10-15,19H,8-9,16-18H2