N-(3,5-dimethoxyphenyl)-2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3,5-dimethoxyphenyl)-2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3,5-dimethoxyphenyl)-2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-(3,5-dimethoxyphenyl)-2-[4-(4-propylphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3,5-dimethoxyphenyl)-2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(3,5-dimethoxyphenyl)-2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C23H32N3O5S+ MolecularWeight: 462.58228

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=CC(=CC(=C3)OC)OC

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=CC(=CC(=C3)OC)OC

InChI

InChI=1S/C23H31N3O5S/c1-4-5-18-6-8-22(9-7-18)32(28,29)26-12-10-25(11-13-26)17-23(27)24-19-14-20(30-2)16-21(15-19)31-3/h6-9,14-16H,4-5,10-13,17H2,1-3H3,(H,24,27)/p+1