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

Systemtic Name: (2,4-dimethylphenyl)-[2-methyl-5-(4-methylpiperazin-4-ium-1-yl)carbonyl-phenyl]sulfonyl-azanide Openeye Name: (2,4-dimethylphenyl)-[2-methyl-5-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]sulfonyl-azanide CAS Name: (2,4-dimethylphenyl)-[2-methyl-5-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]phenyl]sulfonylazanide IUPAC Name: (2,4-dimethylphenyl)-[2-methyl-5-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]sulfonylazanide Traditional Name: (2,4-dimethylphenyl)-[2-methyl-5-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]sulfonyl-azanide Formula: C21H27N3O3S MolecularWeight: 401.52238

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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)C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H26N3O3S/c1-15-5-8-19(17(3)13-15)22-28(26,27)20-14-18(7-6-16(20)2)21(25)24-11-9-23(4)10-12-24/h5-8,13-14H,9-12H2,1-4H3/q-1/p+1