N-[(4-chlorophenyl)methyl]-2-methyl-1-[(4-methylsulfanylphenyl)methyl]-4-methylsulfonyl-6-oxidanylidene-piperazine-2-carboxamide

Systemtic Name: N-[(4-chlorophenyl)methyl]-2-methyl-1-[(4-methylsulfanylphenyl)methyl]-4-methylsulfonyl-6-oxidanylidene-piperazine-2-carboxamide Openeye Name: N-[(4-chlorophenyl)methyl]-2-methyl-1-[(4-methylsulfanylphenyl)methyl]-4-methylsulfonyl-6-oxo-piperazine-2-carboxamide CAS Name: N-[(4-chlorophenyl)methyl]-2-methyl-4-methylsulfonyl-1-[[4-(methylthio)phenyl]methyl]-6-oxo-2-piperazinecarboxamide IUPAC Name: N-[(4-chlorophenyl)methyl]-2-methyl-1-[(4-methylsulfanylphenyl)methyl]-4-methylsulfonyl-6-oxopiperazine-2-carboxamide Traditional Name: N-(4-chlorobenzyl)-6-keto-4-mesyl-2-methyl-1-[4-(methylthio)benzyl]piperazine-2-carboxamide Formula: C22H26ClN3O4S2 MolecularWeight: 496.04254

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(CC(=O)N1CC2=CC=C(C=C2)SC)S(=O)(=O)C)C(=O)NCC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1(CN(CC(=O)N1CC2=CC=C(C=C2)SC)S(=O)(=O)C)C(=O)NCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H26ClN3O4S2/c1-22(21(28)24-12-16-4-8-18(23)9-5-16)15-25(32(3,29)30)14-20(27)26(22)13-17-6-10-19(31-2)11-7-17/h4-11H,12-15H2,1-3H3,(H,24,28)