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

Systemtic Name: N-(2-methoxyphenyl)-2-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-methoxyphenyl)-2-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-(2-methoxyphenyl)-2-[4-[(1-methyl-4-pyrazolyl)sulfonyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-methoxyphenyl)-2-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-methoxyphenyl)-2-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C17H24N5O4S+ MolecularWeight: 394.46856

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3OC

Isomeric SMILES

CN1C=C(C=N1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3OC

InChI

InChI=1S/C17H23N5O4S/c1-20-12-14(11-18-20)27(24,25)22-9-7-21(8-10-22)13-17(23)19-15-5-3-4-6-16(15)26-2/h3-6,11-12H,7-10,13H2,1-2H3,(H,19,23)/p+1