tert-butyl-[3-[[1-(2-cyanophenyl)sulfonylpiperidin-4-yl]carbonylamino]propyl]azanium

Systemtic Name: tert-butyl-[3-[[1-(2-cyanophenyl)sulfonylpiperidin-4-yl]carbonylamino]propyl]azanium Openeye Name: tert-butyl-[3-[[1-(2-cyanophenyl)sulfonylpiperidine-4-carbonyl]amino]propyl]ammonium CAS Name: tert-butyl-[3-[[[1-(2-cyanophenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]propyl]ammonium IUPAC Name: tert-butyl-[3-[[1-(2-cyanophenyl)sulfonylpiperidine-4-carbonyl]amino]propyl]azanium Traditional Name: tert-butyl-[3-[[1-(2-cyanophenyl)sulfonylisonipecotoyl]amino]propyl]ammonium Formula: C20H31N4O3S+ MolecularWeight: 407.55014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[NH2+]CCCNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C#N

Isomeric SMILES

CC(C)(C)[NH2+]CCCNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C#N

InChI

InChI=1S/C20H30N4O3S/c1-20(2,3)23-12-6-11-22-19(25)16-9-13-24(14-10-16)28(26,27)18-8-5-4-7-17(18)15-21/h4-5,7-8,16,23H,6,9-14H2,1-3H3,(H,22,25)/p+1