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

Systemtic Name: 3-[[1-(2-aminocarbonylphenyl)sulfonylpiperidin-4-yl]carbonylamino]propyl-tert-butyl-azanium Openeye Name: tert-butyl-[3-[[1-(2-carbamoylphenyl)sulfonylpiperidine-4-carbonyl]amino]propyl]ammonium CAS Name: tert-butyl-[3-[[[1-(2-carbamoylphenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]propyl]ammonium IUPAC Name: tert-butyl-[3-[[1-(2-carbamoylphenyl)sulfonylpiperidine-4-carbonyl]amino]propyl]azanium Traditional Name: tert-butyl-[3-[[1-(2-carbamoylphenyl)sulfonylisonipecotoyl]amino]propyl]ammonium Formula: C20H33N4O4S+ MolecularWeight: 425.56542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H32N4O4S/c1-20(2,3)23-12-6-11-22-19(26)15-9-13-24(14-10-15)29(27,28)17-8-5-4-7-16(17)18(21)25/h4-5,7-8,15,23H,6,9-14H2,1-3H3,(H2,21,25)(H,22,26)/p+1