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

Systemtic Name: 3-bromanyl-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]benzamide Openeye Name: 3-bromo-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]benzamide CAS Name: 3-bromo-N-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]benzamide IUPAC Name: 3-bromo-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]benzamide Traditional Name: 3-bromo-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]benzamide Formula: C18H21BrN3O3S+ MolecularWeight: 439.34664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20BrN3O3S/c1-21-9-11-22(12-10-21)26(24,25)17-7-5-16(6-8-17)20-18(23)14-3-2-4-15(19)13-14/h2-8,13H,9-12H2,1H3,(H,20,23)/p+1