2-[4-(6-methyl-2-propan-2-yl-pyrimidin-3-ium-4-yl)piperazin-1-yl]carbonylthiophene-3-sulfonamide

Systemtic Name: 2-[4-(6-methyl-2-propan-2-yl-pyrimidin-3-ium-4-yl)piperazin-1-yl]carbonylthiophene-3-sulfonamide Openeye Name: 2-[4-(2-isopropyl-6-methyl-pyrimidin-3-ium-4-yl)piperazine-1-carbonyl]thiophene-3-sulfonamide CAS Name: 2-[[4-(6-methyl-2-propan-2-yl-4-pyrimidin-3-iumyl)-1-piperazinyl]-oxomethyl]-3-thiophenesulfonamide IUPAC Name: 2-[4-(6-methyl-2-propan-2-ylpyrimidin-3-ium-4-yl)piperazine-1-carbonyl]thiophene-3-sulfonamide Traditional Name: 2-[4-(2-isopropyl-6-methyl-pyrimidin-3-ium-4-yl)piperazine-1-carbonyl]thiophene-3-sulfonamide Formula: C17H24N5O3S2+ MolecularWeight: 410.53416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C(=N1)C(C)C)N2CCN(CC2)C(=O)C3=C(C=CS3)S(=O)(=O)N

Isomeric SMILES

CC1=CC(=[NH+]C(=N1)C(C)C)N2CCN(CC2)C(=O)C3=C(C=CS3)S(=O)(=O)N

InChI

InChI=1S/C17H23N5O3S2/c1-11(2)16-19-12(3)10-14(20-16)21-5-7-22(8-6-21)17(23)15-13(4-9-26-15)27(18,24)25/h4,9-11H,5-8H2,1-3H3,(H2,18,24,25)/p+1