N-[4-ethoxy-3-[4-(6-methyl-2-propan-2-yl-pyrimidin-3-ium-4-yl)piperazin-1-yl]sulfonyl-phenyl]ethanamide

Systemtic Name: N-[4-ethoxy-3-[4-(6-methyl-2-propan-2-yl-pyrimidin-3-ium-4-yl)piperazin-1-yl]sulfonyl-phenyl]ethanamide Openeye Name: N-[4-ethoxy-3-[4-(2-isopropyl-6-methyl-pyrimidin-3-ium-4-yl)piperazin-1-yl]sulfonyl-phenyl]acetamide CAS Name: N-[4-ethoxy-3-[[4-(6-methyl-2-propan-2-yl-4-pyrimidin-3-iumyl)-1-piperazinyl]sulfonyl]phenyl]acetamide IUPAC Name: N-[4-ethoxy-3-[4-(6-methyl-2-propan-2-ylpyrimidin-3-ium-4-yl)piperazin-1-yl]sulfonylphenyl]acetamide Traditional Name: N-[4-ethoxy-3-[4-(2-isopropyl-6-methyl-pyrimidin-3-ium-4-yl)piperazino]sulfonyl-phenyl]acetamide Formula: C22H32N5O4S+ MolecularWeight: 462.58558

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)C)S(=O)(=O)N2CCN(CC2)C3=[NH+]C(=NC(=C3)C)C(C)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)C)S(=O)(=O)N2CCN(CC2)C3=[NH+]C(=NC(=C3)C)C(C)C

InChI

InChI=1S/C22H31N5O4S/c1-6-31-19-8-7-18(24-17(5)28)14-20(19)32(29,30)27-11-9-26(10-12-27)21-13-16(4)23-22(25-21)15(2)3/h7-8,13-15H,6,9-12H2,1-5H3,(H,24,28)/p+1