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

Systemtic Name: 3-cyano-N-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]benzamide Openeye Name: 3-cyano-N-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]benzamide CAS Name: 3-cyano-N-[2-methoxy-5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]benzamide IUPAC Name: 3-cyano-N-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]benzamide Traditional Name: 3-cyano-N-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]benzamide Formula: C20H23N4O4S+ MolecularWeight: 415.48602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O4S/c1-23-8-10-24(11-9-23)29(26,27)17-6-7-19(28-2)18(13-17)22-20(25)16-5-3-4-15(12-16)14-21/h3-7,12-13H,8-11H2,1-2H3,(H,22,25)/p+1