[(2R)-1-[[1-(4-cyanophenyl)sulfonylpiperidin-4-yl]carbonylamino]-3-methyl-butan-2-yl]-dimethyl-azanium

Systemtic Name: [(2R)-1-[[1-(4-cyanophenyl)sulfonylpiperidin-4-yl]carbonylamino]-3-methyl-butan-2-yl]-dimethyl-azanium Openeye Name: [(1R)-1-[[[1-(4-cyanophenyl)sulfonylpiperidine-4-carbonyl]amino]methyl]-2-methyl-propyl]-dimethyl-ammonium CAS Name: [(2R)-1-[[[1-(4-cyanophenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]-3-methylbutan-2-yl]-dimethylammonium IUPAC Name: [(2R)-1-[[1-(4-cyanophenyl)sulfonylpiperidine-4-carbonyl]amino]-3-methylbutan-2-yl]-dimethylazanium Traditional Name: [(1R)-1-[[[1-(4-cyanophenyl)sulfonylisonipecotoyl]amino]methyl]-2-methyl-propyl]-dimethyl-ammonium Formula: C20H31N4O3S+ MolecularWeight: 407.55014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N4O3S/c1-15(2)19(23(3)4)14-22-20(25)17-9-11-24(12-10-17)28(26,27)18-7-5-16(13-21)6-8-18/h5-8,15,17,19H,9-12,14H2,1-4H3,(H,22,25)/p+1/t19-/m0/s1