N-cyclohexyl-N-methyl-6-[[(2R)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methylsulfanyl]pyridine-3-sulfonamide

Systemtic Name: N-cyclohexyl-N-methyl-6-[[(2R)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methylsulfanyl]pyridine-3-sulfonamide Openeye Name: N-cyclohexyl-6-[[(2R)-4-isobutylmorpholin-4-ium-2-yl]methylsulfanyl]-N-methyl-pyridine-3-sulfonamide CAS Name: N-cyclohexyl-N-methyl-6-[[(2R)-4-(2-methylpropyl)-2-morpholin-4-iumyl]methylthio]-3-pyridinesulfonamide IUPAC Name: N-cyclohexyl-N-methyl-6-[[(2R)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methylsulfanyl]pyridine-3-sulfonamide Traditional Name: N-cyclohexyl-6-[[(2R)-4-isobutylmorpholin-4-ium-2-yl]methylthio]-N-methyl-pyridine-3-sulfonamide Formula: C21H36N3O3S2+ MolecularWeight: 442.65884

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+]1CCOC(C1)CSC2=NC=C(C=C2)S(=O)(=O)N(C)C3CCCCC3

Isomeric SMILES

CC(C)C[NH+]1CCO[C@H](C1)CSC2=NC=C(C=C2)S(=O)(=O)N(C)C3CCCCC3

InChI

InChI=1S/C21H35N3O3S2/c1-17(2)14-24-11-12-27-19(15-24)16-28-21-10-9-20(13-22-21)29(25,26)23(3)18-7-5-4-6-8-18/h9-10,13,17-19H,4-8,11-12,14-16H2,1-3H3/p+1/t19-/m1/s1