2-methyl-4-methylsulfonyl-6-oxidanylidene-N,1-bis(phenylmethyl)piperazine-2-carboxamide

Systemtic Name: 2-methyl-4-methylsulfonyl-6-oxidanylidene-N,1-bis(phenylmethyl)piperazine-2-carboxamide Openeye Name: N,1-dibenzyl-2-methyl-4-methylsulfonyl-6-oxo-piperazine-2-carboxamide CAS Name: 2-methyl-4-methylsulfonyl-6-oxo-N,1-bis(phenylmethyl)-2-piperazinecarboxamide IUPAC Name: N,1-dibenzyl-2-methyl-4-methylsulfonyl-6-oxopiperazine-2-carboxamide Traditional Name: N,1-dibenzyl-6-keto-4-mesyl-2-methyl-piperazine-2-carboxamide Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O4S/c1-21(20(26)22-13-17-9-5-3-6-10-17)16-23(29(2,27)28)15-19(25)24(21)14-18-11-7-4-8-12-18/h3-12H,13-16H2,1-2H3,(H,22,26)