2-[[1-(2-cyanophenyl)sulfonylpiperidin-4-yl]carbonylamino]ethyl-di(propan-2-yl)azanium

Systemtic Name: 2-[[1-(2-cyanophenyl)sulfonylpiperidin-4-yl]carbonylamino]ethyl-di(propan-2-yl)azanium Openeye Name: 2-[[1-(2-cyanophenyl)sulfonylpiperidine-4-carbonyl]amino]ethyl-diisopropyl-ammonium CAS Name: 2-[[[1-(2-cyanophenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-[[1-(2-cyanophenyl)sulfonylpiperidine-4-carbonyl]amino]ethyl-di(propan-2-yl)azanium Traditional Name: 2-[[1-(2-cyanophenyl)sulfonylisonipecotoyl]amino]ethyl-diisopropyl-ammonium Formula: C21H33N4O3S+ MolecularWeight: 421.57672

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CCNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C#N)C(C)C

Isomeric SMILES

CC(C)[NH+](CCNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C#N)C(C)C

InChI

InChI=1S/C21H32N4O3S/c1-16(2)25(17(3)4)14-11-23-21(26)18-9-12-24(13-10-18)29(27,28)20-8-6-5-7-19(20)15-22/h5-8,16-18H,9-14H2,1-4H3,(H,23,26)/p+1