3-piperidin-1-ylsulfonyl-N-(2-prop-2-enylsulfanylphenyl)benzamide

Systemtic Name: 3-piperidin-1-ylsulfonyl-N-(2-prop-2-enylsulfanylphenyl)benzamide Openeye Name: N-(2-allylsulfanylphenyl)-3-(1-piperidylsulfonyl)benzamide CAS Name: 3-(1-piperidinylsulfonyl)-N-[2-(prop-2-enylthio)phenyl]benzamide IUPAC Name: 3-piperidin-1-ylsulfonyl-N-(2-prop-2-enylsulfanylphenyl)benzamide Traditional Name: N-[2-(allylthio)phenyl]-3-piperidinosulfonyl-benzamide Formula: C21H24N2O3S2 MolecularWeight: 416.55686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=CC=CC=C1NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

C=CCSC1=CC=CC=C1NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H24N2O3S2/c1-2-15-27-20-12-5-4-11-19(20)22-21(24)17-9-8-10-18(16-17)28(25,26)23-13-6-3-7-14-23/h2,4-5,8-12,16H,1,3,6-7,13-15H2,(H,22,24)