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

Systemtic Name: 2-methyl-1-[2-(4-methylsulfanylphenyl)ethyl]-4-methylsulfonyl-6-oxidanylidene-N-(phenylmethyl)piperazine-2-carboxamide Openeye Name: N-benzyl-2-methyl-1-[2-(4-methylsulfanylphenyl)ethyl]-4-methylsulfonyl-6-oxo-piperazine-2-carboxamide CAS Name: 2-methyl-4-methylsulfonyl-1-[2-[4-(methylthio)phenyl]ethyl]-6-oxo-N-(phenylmethyl)-2-piperazinecarboxamide IUPAC Name: N-benzyl-2-methyl-1-[2-(4-methylsulfanylphenyl)ethyl]-4-methylsulfonyl-6-oxopiperazine-2-carboxamide Traditional Name: N-benzyl-6-keto-4-mesyl-2-methyl-1-[2-[4-(methylthio)phenyl]ethyl]piperazine-2-carboxamide Formula: C23H29N3O4S2 MolecularWeight: 475.62406

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(CC(=O)N1CCC2=CC=C(C=C2)SC)S(=O)(=O)C)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC1(CN(CC(=O)N1CCC2=CC=C(C=C2)SC)S(=O)(=O)C)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C23H29N3O4S2/c1-23(22(28)24-15-19-7-5-4-6-8-19)17-25(32(3,29)30)16-21(27)26(23)14-13-18-9-11-20(31-2)12-10-18/h4-12H,13-17H2,1-3H3,(H,24,28)