N-(4-bromanyl-3-methyl-phenyl)-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(4-bromo-3-methyl-phenyl)acetamide CAS Name: 2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-N-(4-bromo-3-methylphenyl)acetamide IUPAC Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(4-bromo-3-methylphenyl)acetamide Traditional Name: 2-(4-besylpiperazin-1-ium-1-yl)-N-(4-bromo-3-methyl-phenyl)acetamide Formula: C19H23BrN3O3S+ MolecularWeight: 453.37322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)Br

InChI

InChI=1S/C19H22BrN3O3S/c1-15-13-16(7-8-18(15)20)21-19(24)14-22-9-11-23(12-10-22)27(25,26)17-5-3-2-4-6-17/h2-8,13H,9-12,14H2,1H3,(H,21,24)/p+1