N-[1-[2-methylsulfanyl-3-(phenylmethyl)-4-propan-2-ylsulfonyl-phenyl]-3-oxidanylidene-propyl]methanamide

Systemtic Name: N-[1-[2-methylsulfanyl-3-(phenylmethyl)-4-propan-2-ylsulfonyl-phenyl]-3-oxidanylidene-propyl]methanamide Openeye Name: N-[1-(3-benzyl-4-isopropylsulfonyl-2-methylsulfanyl-phenyl)-3-oxo-propyl]formamide CAS Name: N-[1-[2-(methylthio)-3-(phenylmethyl)-4-propan-2-ylsulfonylphenyl]-3-oxopropyl]formamide IUPAC Name: N-[1-(3-benzyl-2-methylsulfanyl-4-propan-2-ylsulfonylphenyl)-3-oxopropyl]formamide Traditional Name: N-[1-[3-benzyl-4-isopropylsulfonyl-2-(methylthio)phenyl]-3-keto-propyl]formamide Formula: C21H25NO4S2 MolecularWeight: 419.5575

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=C(C(=C(C=C1)C(CC=O)NC=O)SC)CC2=CC=CC=C2

Isomeric SMILES

CC(C)S(=O)(=O)C1=C(C(=C(C=C1)C(CC=O)NC=O)SC)CC2=CC=CC=C2

InChI

InChI=1S/C21H25NO4S2/c1-15(2)28(25,26)20-10-9-17(19(11-12-23)22-14-24)21(27-3)18(20)13-16-7-5-4-6-8-16/h4-10,12,14-15,19H,11,13H2,1-3H3,(H,22,24)