N-(2,3-dimethylphenyl)-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,3-dimethylphenyl)-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,3-dimethylphenyl)-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-(2,3-dimethylphenyl)-2-[4-(4-ethoxyphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,3-dimethylphenyl)-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,3-dimethylphenyl)-2-(4-p-phenetylsulfonylpiperazin-1-ium-1-yl)acetamide Formula: C22H30N3O4S+ MolecularWeight: 432.5563

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=CC(=C3C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=CC(=C3C)C

InChI

InChI=1S/C22H29N3O4S/c1-4-29-19-8-10-20(11-9-19)30(27,28)25-14-12-24(13-15-25)16-22(26)23-21-7-5-6-17(2)18(21)3/h5-11H,4,12-16H2,1-3H3,(H,23,26)/p+1