4-[(4-chlorophenyl)sulfanylmethyl]-N-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)benzamide

Systemtic Name: 4-[(4-chlorophenyl)sulfanylmethyl]-N-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)benzamide Openeye Name: 4-[(4-chlorophenyl)sulfanylmethyl]-N-[4-methoxy-3-(1-piperidylsulfonyl)phenyl]benzamide CAS Name: 4-[[(4-chlorophenyl)thio]methyl]-N-[4-methoxy-3-(1-piperidinylsulfonyl)phenyl]benzamide IUPAC Name: 4-[(4-chlorophenyl)sulfanylmethyl]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)benzamide Traditional Name: 4-[[(4-chlorophenyl)thio]methyl]-N-(4-methoxy-3-piperidinosulfonyl-phenyl)benzamide Formula: C26H27ClN2O4S2 MolecularWeight: 531.08658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CSC3=CC=C(C=C3)Cl)S(=O)(=O)N4CCCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CSC3=CC=C(C=C3)Cl)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C26H27ClN2O4S2/c1-33-24-14-11-22(17-25(24)35(31,32)29-15-3-2-4-16-29)28-26(30)20-7-5-19(6-8-20)18-34-23-12-9-21(27)10-13-23/h5-14,17H,2-4,15-16,18H2,1H3,(H,28,30)