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

Systemtic Name: N-benzo[e][1,3]benzothiazol-2-yl-1-(phenylmethyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-benzo[e][1,3]benzothiazol-2-yl-1-benzylsulfonyl-piperidine-4-carboxamide CAS Name: N-(2-benzo[e][1,3]benzothiazolyl)-1-(phenylmethyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-benzo[e][1,3]benzothiazol-2-yl-1-benzylsulfonylpiperidine-4-carboxamide Traditional Name: N-benzo[e][1,3]benzothiazol-2-yl-1-benzylsulfonyl-isonipecotamide Formula: C24H23N3O3S2 MolecularWeight: 465.58772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=NC3=C(S2)C=CC4=CC=CC=C43)S(=O)(=O)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1C(=O)NC2=NC3=C(S2)C=CC4=CC=CC=C43)S(=O)(=O)CC5=CC=CC=C5

InChI

InChI=1S/C24H23N3O3S2/c28-23(26-24-25-22-20-9-5-4-8-18(20)10-11-21(22)31-24)19-12-14-27(15-13-19)32(29,30)16-17-6-2-1-3-7-17/h1-11,19H,12-16H2,(H,25,26,28)