N-(2-methoxy-5-methyl-phenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-methoxy-5-methyl-phenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-methoxy-5-methyl-phenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-(2-methoxy-5-methylphenyl)-2-[4-(4-methoxyphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-methoxy-5-methylphenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-methoxy-5-methyl-phenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C21H28N3O5S+ MolecularWeight: 434.52912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H27N3O5S/c1-16-4-9-20(29-3)19(14-16)22-21(25)15-23-10-12-24(13-11-23)30(26,27)18-7-5-17(28-2)6-8-18/h4-9,14H,10-13,15H2,1-3H3,(H,22,25)/p+1