N-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]-2-methyl-benzamide

Systemtic Name: N-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]-2-methyl-benzamide Openeye Name: N-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]-2-methyl-benzamide CAS Name: N-[2-methoxy-5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-2-methylbenzamide IUPAC Name: N-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-2-methylbenzamide Traditional Name: N-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]-2-methyl-benzamide Formula: C20H26N3O4S+ MolecularWeight: 404.50314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CC[NH+](CC3)C)OC

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CC[NH+](CC3)C)OC

InChI

InChI=1S/C20H25N3O4S/c1-15-6-4-5-7-17(15)20(24)21-18-14-16(8-9-19(18)27-3)28(25,26)23-12-10-22(2)11-13-23/h4-9,14H,10-13H2,1-3H3,(H,21,24)/p+1