N-[2-(2-cyanoethylsulfanyl)phenyl]-4-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[2-(2-cyanoethylsulfanyl)phenyl]-4-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-[2-(2-cyanoethylsulfanyl)phenyl]-4-(1-piperidylsulfonyl)benzamide CAS Name: N-[2-(2-cyanoethylthio)phenyl]-4-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-[2-(2-cyanoethylsulfanyl)phenyl]-4-piperidin-1-ylsulfonylbenzamide Traditional Name: N-[2-(2-cyanoethylthio)phenyl]-4-piperidinosulfonyl-benzamide Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC=CC=C3SCCC#N

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC=CC=C3SCCC#N

InChI

InChI=1S/C21H23N3O3S2/c22-13-6-16-28-20-8-3-2-7-19(20)23-21(25)17-9-11-18(12-10-17)29(26,27)24-14-4-1-5-15-24/h2-3,7-12H,1,4-6,14-16H2,(H,23,25)