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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=C(C=CC(=C1CC2=CC=CC=C2)C(CC=O)NC=O)SC

Isomeric SMILES

CC(C)S(=O)(=O)C1=C(C=CC(=C1CC2=CC=CC=C2)C(CC=O)NC=O)SC

InChI

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