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

Systemtic Name: N-[(4-chlorophenyl)methyl]-2-methyl-4-methylsulfonyl-6-oxidanylidene-1-phenethyl-piperazine-2-carboxamide Openeye Name: N-[(4-chlorophenyl)methyl]-2-methyl-4-methylsulfonyl-6-oxo-1-phenethyl-piperazine-2-carboxamide CAS Name: N-[(4-chlorophenyl)methyl]-2-methyl-4-methylsulfonyl-6-oxo-1-phenethyl-2-piperazinecarboxamide IUPAC Name: N-[(4-chlorophenyl)methyl]-2-methyl-4-methylsulfonyl-6-oxo-1-phenethylpiperazine-2-carboxamide Traditional Name: N-(4-chlorobenzyl)-6-keto-4-mesyl-2-methyl-1-phenethyl-piperazine-2-carboxamide Formula: C22H26ClN3O4S MolecularWeight: 463.97754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26ClN3O4S/c1-22(21(28)24-14-18-8-10-19(23)11-9-18)16-25(31(2,29)30)15-20(27)26(22)13-12-17-6-4-3-5-7-17/h3-11H,12-16H2,1-2H3,(H,24,28)