N-(2,4-dimethylphenyl)-4-methoxy-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-(2,4-dimethylphenyl)-4-methoxy-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-(2,4-dimethylphenyl)-4-methoxy-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonyl-benzamide CAS Name: N-(2,4-dimethylphenyl)-4-methoxy-3-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]sulfonyl]benzamide IUPAC Name: N-(2,4-dimethylphenyl)-4-methoxy-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylbenzamide Traditional Name: N-(2,4-dimethylphenyl)-4-methoxy-3-(4-pyridin-1-ium-2-ylpiperazino)sulfonyl-benzamide Formula: C25H29N4O4S+ MolecularWeight: 481.58716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCN(CC3)C4=CC=CC=[NH+]4)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCN(CC3)C4=CC=CC=[NH+]4)C

InChI

InChI=1S/C25H28N4O4S/c1-18-7-9-21(19(2)16-18)27-25(30)20-8-10-22(33-3)23(17-20)34(31,32)29-14-12-28(13-15-29)24-6-4-5-11-26-24/h4-11,16-17H,12-15H2,1-3H3,(H,27,30)/p+1