N-[2-(3-methylphenoxy)-5-piperidin-1-ylsulfonyl-phenyl]-3-methylsulfanyl-propanamide

Systemtic Name: N-[2-(3-methylphenoxy)-5-piperidin-1-ylsulfonyl-phenyl]-3-methylsulfanyl-propanamide Openeye Name: N-[2-(3-methylphenoxy)-5-(1-piperidylsulfonyl)phenyl]-3-methylsulfanyl-propanamide CAS Name: N-[2-(3-methylphenoxy)-5-(1-piperidinylsulfonyl)phenyl]-3-(methylthio)propanamide IUPAC Name: N-[2-(3-methylphenoxy)-5-piperidin-1-ylsulfonylphenyl]-3-methylsulfanylpropanamide Traditional Name: N-[2-(3-methylphenoxy)-5-piperidinosulfonyl-phenyl]-3-(methylthio)propionamide Formula: C22H28N2O4S2 MolecularWeight: 448.59872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)NC(=O)CCSC

Isomeric SMILES

CC1=CC(=CC=C1)OC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)NC(=O)CCSC

InChI

InChI=1S/C22H28N2O4S2/c1-17-7-6-8-18(15-17)28-21-10-9-19(16-20(21)23-22(25)11-14-29-2)30(26,27)24-12-4-3-5-13-24/h6-10,15-16H,3-5,11-14H2,1-2H3,(H,23,25)