[(2R)-1-[[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]carbonylamino]propan-2-yl]-diethyl-azanium

Systemtic Name: [(2R)-1-[[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]carbonylamino]propan-2-yl]-diethyl-azanium Openeye Name: [(1R)-2-[[1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]amino]-1-methyl-ethyl]-diethyl-ammonium CAS Name: [(2R)-1-[[[1-(3,4-dimethylphenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]propan-2-yl]-diethylammonium IUPAC Name: [(2R)-1-[[1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]amino]propan-2-yl]-diethylazanium Traditional Name: [(1R)-2-[[1-(3,4-dimethylphenyl)sulfonylisonipecotoyl]amino]-1-methyl-ethyl]-diethyl-ammonium Formula: C21H36N3O3S+ MolecularWeight: 410.59384

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C(C)CNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)C)C

Isomeric SMILES

CC[NH+](CC)[C@H](C)CNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)C)C

InChI

InChI=1S/C21H35N3O3S/c1-6-23(7-2)18(5)15-22-21(25)19-10-12-24(13-11-19)28(26,27)20-9-8-16(3)17(4)14-20/h8-9,14,18-19H,6-7,10-13,15H2,1-5H3,(H,22,25)/p+1/t18-/m1/s1