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

Systemtic Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-1-(4-cyanophenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-1-(4-cyanophenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-1-(4-cyanophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-1-(4-cyanophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-1-(4-cyanophenyl)sulfonyl-isonipecotamide Formula: C22H22N4O3S2 MolecularWeight: 454.56508

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCCC2=NC3=CC=CC=C3S2)S(=O)(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1CN(CCC1C(=O)NCCC2=NC3=CC=CC=C3S2)S(=O)(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C22H22N4O3S2/c23-15-16-5-7-18(8-6-16)31(28,29)26-13-10-17(11-14-26)22(27)24-12-9-21-25-19-3-1-2-4-20(19)30-21/h1-8,17H,9-14H2,(H,24,27)