N-(4-ethoxyphenyl)-2-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(4-ethoxyphenyl)-2-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(4-ethoxyphenyl)-2-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-(4-ethoxyphenyl)-2-[4-[(1-methyl-4-pyrazolyl)sulfonyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-ethoxyphenyl)-2-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: 2-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-ium-1-yl]-N-p-phenetyl-acetamide Formula: C18H26N5O4S+ MolecularWeight: 408.49514

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CN(N=C3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CN(N=C3)C

InChI

InChI=1S/C18H25N5O4S/c1-3-27-16-6-4-15(5-7-16)20-18(24)14-22-8-10-23(11-9-22)28(25,26)17-12-19-21(2)13-17/h4-7,12-13H,3,8-11,14H2,1-2H3,(H,20,24)/p+1