[(1S)-2-[[1-(4-cyanophenyl)sulfonylpiperidin-4-yl]carbonylamino]-1-thiophen-3-yl-ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[[1-(4-cyanophenyl)sulfonylpiperidin-4-yl]carbonylamino]-1-thiophen-3-yl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[[1-(4-cyanophenyl)sulfonylpiperidine-4-carbonyl]amino]-1-(3-thienyl)ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[[1-(4-cyanophenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]-1-(3-thiophenyl)ethyl]-dimethylammonium IUPAC Name: [(1S)-2-[[1-(4-cyanophenyl)sulfonylpiperidine-4-carbonyl]amino]-1-thiophen-3-ylethyl]-dimethylazanium Traditional Name: [(1S)-2-[[1-(4-cyanophenyl)sulfonylisonipecotoyl]amino]-1-(3-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=CSC=C3

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O3S2/c1-24(2)20(18-9-12-29-15-18)14-23-21(26)17-7-10-25(11-8-17)30(27,28)19-5-3-16(13-22)4-6-19/h3-6,9,12,15,17,20H,7-8,10-11,14H2,1-2H3,(H,23,26)/p+1/t20-/m1/s1