(2,4-dimethylphenyl)-[2-methyl-5-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-phenyl]sulfonyl-azanide

Systemtic Name: (2,4-dimethylphenyl)-[2-methyl-5-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-phenyl]sulfonyl-azanide Openeye Name: [5-(4-benzylpiperazin-4-ium-1-carbonyl)-2-methyl-phenyl]sulfonyl-(2,4-dimethylphenyl)azanide CAS Name: (2,4-dimethylphenyl)-[2-methyl-5-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]phenyl]sulfonylazanide IUPAC Name: [5-(4-benzylpiperazin-4-ium-1-carbonyl)-2-methylphenyl]sulfonyl-(2,4-dimethylphenyl)azanide Traditional Name: [5-(4-benzylpiperazin-4-ium-1-carbonyl)-2-methyl-phenyl]sulfonyl-(2,4-dimethylphenyl)azanide Formula: C27H31N3O3S MolecularWeight: 477.61834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)[N-]S(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)[N-]S(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4)C)C

InChI

InChI=1S/C27H30N3O3S/c1-20-9-12-25(22(3)17-20)28-34(32,33)26-18-24(11-10-21(26)2)27(31)30-15-13-29(14-16-30)19-23-7-5-4-6-8-23/h4-12,17-18H,13-16,19H2,1-3H3/q-1/p+1