3-(2,3-dimethoxyphenyl)-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]propanamide

Systemtic Name: 3-(2,3-dimethoxyphenyl)-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]propanamide Openeye Name: 3-(2,3-dimethoxyphenyl)-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]propanamide CAS Name: 3-(2,3-dimethoxyphenyl)-N-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]propanamide IUPAC Name: 3-(2,3-dimethoxyphenyl)-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]propanamide Traditional Name: 3-(2,3-dimethoxyphenyl)-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]propionamide Formula: C22H30N3O5S+ MolecularWeight: 448.5557

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCC3=C(C(=CC=C3)OC)OC

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCC3=C(C(=CC=C3)OC)OC

InChI

InChI=1S/C22H29N3O5S/c1-24-13-15-25(16-14-24)31(27,28)19-10-8-18(9-11-19)23-21(26)12-7-17-5-4-6-20(29-2)22(17)30-3/h4-6,8-11H,7,12-16H2,1-3H3,(H,23,26)/p+1