4-(4-cyanophenyl)sulfonyl-N-[[(2S)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methyl]piperazine-1-carboxamide

Systemtic Name: 4-(4-cyanophenyl)sulfonyl-N-[[(2S)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methyl]piperazine-1-carboxamide Openeye Name: 4-(4-cyanophenyl)sulfonyl-N-[[(2S)-4-isobutylmorpholin-4-ium-2-yl]methyl]piperazine-1-carboxamide CAS Name: 4-(4-cyanophenyl)sulfonyl-N-[[(2S)-4-(2-methylpropyl)-2-morpholin-4-iumyl]methyl]-1-piperazinecarboxamide IUPAC Name: 4-(4-cyanophenyl)sulfonyl-N-[[(2S)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methyl]piperazine-1-carboxamide Traditional Name: 4-(4-cyanophenyl)sulfonyl-N-[[(2S)-4-isobutylmorpholin-4-ium-2-yl]methyl]piperazine-1-carboxamide Formula: C21H32N5O4S+ MolecularWeight: 450.57488

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+]1CCOC(C1)CNC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CC(C)C[NH+]1CCO[C@H](C1)CNC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H31N5O4S/c1-17(2)15-24-11-12-30-19(16-24)14-23-21(27)25-7-9-26(10-8-25)31(28,29)20-5-3-18(13-22)4-6-20/h3-6,17,19H,7-12,14-16H2,1-2H3,(H,23,27)/p+1/t19-/m0/s1