N-(1,3-benzothiazol-2-yl)-1-[(E)-2-phenylethenyl]sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-1-[(E)-2-phenylethenyl]sulfonyl-piperidine-4-carboxamide Openeye Name: N-(1,3-benzothiazol-2-yl)-1-[(E)-styryl]sulfonyl-piperidine-4-carboxamide CAS Name: N-(1,3-benzothiazol-2-yl)-1-[(E)-2-phenylethenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide Traditional Name: N-(1,3-benzothiazol-2-yl)-1-[(E)-styryl]sulfonyl-isonipecotamide Formula: C21H21N3O3S2 MolecularWeight: 427.53974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=NC3=CC=CC=C3S2)S(=O)(=O)C=CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)NC2=NC3=CC=CC=C3S2)S(=O)(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C21H21N3O3S2/c25-20(23-21-22-18-8-4-5-9-19(18)28-21)17-10-13-24(14-11-17)29(26,27)15-12-16-6-2-1-3-7-16/h1-9,12,15,17H,10-11,13-14H2,(H,22,23,25)/b15-12+