[(1R)-2-[[1-(4-cyanophenyl)sulfonylpiperidin-4-yl]carbonylamino]-1-thiophen-2-yl-ethyl]-dimethyl-azanium

Systemtic Name: [(1R)-2-[[1-(4-cyanophenyl)sulfonylpiperidin-4-yl]carbonylamino]-1-thiophen-2-yl-ethyl]-dimethyl-azanium Openeye Name: [(1R)-2-[[1-(4-cyanophenyl)sulfonylpiperidine-4-carbonyl]amino]-1-(2-thienyl)ethyl]-dimethyl-ammonium CAS Name: [(1R)-2-[[[1-(4-cyanophenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]-1-thiophen-2-ylethyl]-dimethylammonium IUPAC Name: [(1R)-2-[[1-(4-cyanophenyl)sulfonylpiperidine-4-carbonyl]amino]-1-thiophen-2-ylethyl]-dimethylazanium Traditional Name: [(1R)-2-[[1-(4-cyanophenyl)sulfonylisonipecotoyl]amino]-1-(2-thienyl)ethyl]-dimethyl-ammonium Formula: C21H27N4O3S2+ MolecularWeight: 447.59408

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C#N)C3=CC=CS3

Isomeric SMILES

C[NH+](C)[C@H](CNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C#N)C3=CC=CS3

InChI

InChI=1S/C21H26N4O3S2/c1-24(2)19(20-4-3-13-29-20)15-23-21(26)17-9-11-25(12-10-17)30(27,28)18-7-5-16(14-22)6-8-18/h3-8,13,17,19H,9-12,15H2,1-2H3,(H,23,26)/p+1/t19-/m1/s1