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

Systemtic Name: (2S)-4-(1-methylpyrrol-2-yl)carbonyl-1-methylsulfonyl-N-[(3S)-2-oxidanylidenepiperidin-3-yl]piperazine-2-carboxamide Openeye Name: (2S)-4-(1-methylpyrrole-2-carbonyl)-1-methylsulfonyl-N-[(3S)-2-oxo-3-piperidyl]piperazine-2-carboxamide CAS Name: (2S)-4-[(1-methyl-2-pyrrolyl)-oxomethyl]-1-methylsulfonyl-N-[(3S)-2-oxo-3-piperidinyl]-2-piperazinecarboxamide IUPAC Name: (2S)-4-(1-methylpyrrole-2-carbonyl)-1-methylsulfonyl-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide Traditional Name: (2S)-N-[(3S)-2-keto-3-piperidyl]-1-mesyl-4-(1-methylpyrrole-2-carbonyl)piperazine-2-carboxamide Formula: C17H25N5O5S MolecularWeight: 411.4759

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(=O)N2CCN(C(C2)C(=O)NC3CCCNC3=O)S(=O)(=O)C

Isomeric SMILES

CN1C=CC=C1C(=O)N2CCN([C@@H](C2)C(=O)N[C@H]3CCCNC3=O)S(=O)(=O)C

InChI

InChI=1S/C17H25N5O5S/c1-20-8-4-6-13(20)17(25)21-9-10-22(28(2,26)27)14(11-21)16(24)19-12-5-3-7-18-15(12)23/h4,6,8,12,14H,3,5,7,9-11H2,1-2H3,(H,18,23)(H,19,24)/t12-,14-/m0/s1