N-[[(2S)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methyl]-4-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[[(2S)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methyl]-4-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-[[(2S)-4-isobutylmorpholin-4-ium-2-yl]methyl]-4-(1-piperidylsulfonyl)benzamide CAS Name: N-[[(2S)-4-(2-methylpropyl)-2-morpholin-4-iumyl]methyl]-4-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-[[(2S)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methyl]-4-piperidin-1-ylsulfonylbenzamide Traditional Name: N-[[(2S)-4-isobutylmorpholin-4-ium-2-yl]methyl]-4-piperidinosulfonyl-benzamide Formula: C21H34N3O4S+ MolecularWeight: 424.57736

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+]1CCOC(C1)CNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC(C)C[NH+]1CCO[C@H](C1)CNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H33N3O4S/c1-17(2)15-23-12-13-28-19(16-23)14-22-21(25)18-6-8-20(9-7-18)29(26,27)24-10-4-3-5-11-24/h6-9,17,19H,3-5,10-16H2,1-2H3,(H,22,25)/p+1/t19-/m0/s1