N-(2,4-dimethoxyphenyl)-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide

Systemtic Name: N-(2,4-dimethoxyphenyl)-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Openeye Name: N-(2,4-dimethoxyphenyl)-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide CAS Name: N-(2,4-dimethoxyphenyl)-3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]benzamide IUPAC Name: N-(2,4-dimethoxyphenyl)-3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzamide Traditional Name: N-(2,4-dimethoxyphenyl)-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Formula: C20H26N3O5S+ MolecularWeight: 420.50254

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=C(C=C(C=C3)OC)OC

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=C(C=C(C=C3)OC)OC

InChI

InChI=1S/C20H25N3O5S/c1-22-9-11-23(12-10-22)29(25,26)17-6-4-5-15(13-17)20(24)21-18-8-7-16(27-2)14-19(18)28-3/h4-8,13-14H,9-12H2,1-3H3,(H,21,24)/p+1