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

Systemtic Name: tert-butyl-[3-[[1-(3-ethanoylphenyl)sulfonylpiperidin-4-yl]carbonylamino]propyl]azanium Openeye Name: 3-[[1-(3-acetylphenyl)sulfonylpiperidine-4-carbonyl]amino]propyl-tert-butyl-ammonium CAS Name: 3-[[[1-(3-acetylphenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]propyl-tert-butylammonium IUPAC Name: 3-[[1-(3-acetylphenyl)sulfonylpiperidine-4-carbonyl]amino]propyl-tert-butylazanium Traditional Name: 3-[[1-(3-acetylphenyl)sulfonylisonipecotoyl]amino]propyl-tert-butyl-ammonium Formula: C21H34N3O4S+ MolecularWeight: 424.57736

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCCC[NH2+]C(C)(C)C

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCCC[NH2+]C(C)(C)C

InChI

InChI=1S/C21H33N3O4S/c1-16(25)18-7-5-8-19(15-18)29(27,28)24-13-9-17(10-14-24)20(26)22-11-6-12-23-21(2,3)4/h5,7-8,15,17,23H,6,9-14H2,1-4H3,(H,22,26)/p+1