3-butoxy-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]benzamide

Systemtic Name: 3-butoxy-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]benzamide Openeye Name: 3-butoxy-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]benzamide CAS Name: 3-butoxy-N-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]benzamide IUPAC Name: 3-butoxy-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]benzamide Traditional Name: 3-butoxy-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]benzamide Formula: C22H30N3O4S+ MolecularWeight: 432.5563

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C22H29N3O4S/c1-3-4-16-29-20-7-5-6-18(17-20)22(26)23-19-8-10-21(11-9-19)30(27,28)25-14-12-24(2)13-15-25/h5-11,17H,3-4,12-16H2,1-2H3,(H,23,26)/p+1