(2S)-4-(4-dimethylaminophenyl)carbonyl-1-methylsulfonyl-N-[(3S)-2-oxidanylidenepiperidin-3-yl]piperazine-2-carboxamide

Systemtic Name: (2S)-4-(4-dimethylaminophenyl)carbonyl-1-methylsulfonyl-N-[(3S)-2-oxidanylidenepiperidin-3-yl]piperazine-2-carboxamide Openeye Name: (2S)-4-[4-(dimethylamino)benzoyl]-1-methylsulfonyl-N-[(3S)-2-oxo-3-piperidyl]piperazine-2-carboxamide CAS Name: (2S)-4-[(4-dimethylaminophenyl)-oxomethyl]-1-methylsulfonyl-N-[(3S)-2-oxo-3-piperidinyl]-2-piperazinecarboxamide IUPAC Name: (2S)-4-[4-(dimethylamino)benzoyl]-1-methylsulfonyl-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide Traditional Name: (2S)-4-[4-(dimethylamino)benzoyl]-N-[(3S)-2-keto-3-piperidyl]-1-mesyl-piperazine-2-carboxamide Formula: C20H29N5O5S MolecularWeight: 451.53976

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(=O)N2CCN(C(C2)C(=O)NC3CCCNC3=O)S(=O)(=O)C

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(=O)N2CCN([C@@H](C2)C(=O)N[C@H]3CCCNC3=O)S(=O)(=O)C

InChI

InChI=1S/C20H29N5O5S/c1-23(2)15-8-6-14(7-9-15)20(28)24-11-12-25(31(3,29)30)17(13-24)19(27)22-16-5-4-10-21-18(16)26/h6-9,16-17H,4-5,10-13H2,1-3H3,(H,21,26)(H,22,27)/t16-,17-/m0/s1