1,2-dimethyl-4-methylsulfonyl-6-oxidanylidene-N-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]piperazine-2-carboxamide

Systemtic Name: 1,2-dimethyl-4-methylsulfonyl-6-oxidanylidene-N-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]piperazine-2-carboxamide Openeye Name: N-[2-(benzylamino)-2-oxo-ethyl]-1,2-dimethyl-4-methylsulfonyl-6-oxo-piperazine-2-carboxamide CAS Name: 1,2-dimethyl-4-methylsulfonyl-6-oxo-N-[2-oxo-2-[(phenylmethyl)amino]ethyl]-2-piperazinecarboxamide IUPAC Name: N-[2-(benzylamino)-2-oxoethyl]-1,2-dimethyl-4-methylsulfonyl-6-oxopiperazine-2-carboxamide Traditional Name: N-[2-(benzylamino)-2-keto-ethyl]-6-keto-4-mesyl-1,2-dimethyl-piperazine-2-carboxamide Formula: C17H24N4O5S MolecularWeight: 396.46126

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(CC(=O)N1C)S(=O)(=O)C)C(=O)NCC(=O)NCC2=CC=CC=C2

Isomeric SMILES

CC1(CN(CC(=O)N1C)S(=O)(=O)C)C(=O)NCC(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C17H24N4O5S/c1-17(12-21(27(3,25)26)11-15(23)20(17)2)16(24)19-10-14(22)18-9-13-7-5-4-6-8-13/h4-8H,9-12H2,1-3H3,(H,18,22)(H,19,24)