N-(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)-2-(4-methoxyphenyl)sulfanyl-propanamide

Systemtic Name: N-(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)-2-(4-methoxyphenyl)sulfanyl-propanamide Openeye Name: N-[2-chloro-5-(1-piperidylsulfonyl)phenyl]-2-(4-methoxyphenyl)sulfanyl-propanamide CAS Name: N-[2-chloro-5-(1-piperidinylsulfonyl)phenyl]-2-[(4-methoxyphenyl)thio]propanamide IUPAC Name: N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide Traditional Name: N-(2-chloro-5-piperidinosulfonyl-phenyl)-2-[(4-methoxyphenyl)thio]propionamide Formula: C21H25ClN2O4S2 MolecularWeight: 469.0172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)Cl)SC3=CC=C(C=C3)OC

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)Cl)SC3=CC=C(C=C3)OC

InChI

InChI=1S/C21H25ClN2O4S2/c1-15(29-17-8-6-16(28-2)7-9-17)21(25)23-20-14-18(10-11-19(20)22)30(26,27)24-12-4-3-5-13-24/h6-11,14-15H,3-5,12-13H2,1-2H3,(H,23,25)