4-[2-(4-aminocarbonylpiperidin-1-ium-1-yl)ethanoylamino]-N-(4-methylpyrimidin-2-yl)benzenesulfonimidate

Systemtic Name: 4-[2-(4-aminocarbonylpiperidin-1-ium-1-yl)ethanoylamino]-N-(4-methylpyrimidin-2-yl)benzenesulfonimidate Openeye Name: 4-[[2-(4-carbamoylpiperidin-1-ium-1-yl)acetyl]amino]-N-(4-methylpyrimidin-2-yl)benzenesulfonimidate CAS Name: 4-[[2-(4-carbamoyl-1-piperidin-1-iumyl)-1-oxoethyl]amino]-N-(4-methyl-2-pyrimidinyl)benzenesulfonimidate IUPAC Name: 4-[[2-(4-carbamoylpiperidin-1-ium-1-yl)acetyl]amino]-N-(4-methylpyrimidin-2-yl)benzenesulfonimidate Traditional Name: 4-[[2-(4-carbamoylpiperidin-1-ium-1-yl)acetyl]amino]-N-(4-methylpyrimidin-2-yl)benzenesulfonimidate Formula: C19H24N6O4S MolecularWeight: 432.49666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)N=S(=O)(C2=CC=C(C=C2)NC(=O)C[NH+]3CCC(CC3)C(=O)N)[O-]

Isomeric SMILES

CC1=NC(=NC=C1)N=S(=O)(C2=CC=C(C=C2)NC(=O)C[NH+]3CCC(CC3)C(=O)N)[O-]

InChI

InChI=1S/C19H24N6O4S/c1-13-6-9-21-19(22-13)24-30(28,29)16-4-2-15(3-5-16)23-17(26)12-25-10-7-14(8-11-25)18(20)27/h2-6,9,14H,7-8,10-12H2,1H3,(H2,20,27)(H,23,26)(H,21,22,24,28,29)