[2-methyl-5-(4-methylpiperazin-4-ium-1-yl)carbonyl-phenyl]sulfonyl-(3-methylphenyl)azanide

Systemtic Name: [2-methyl-5-(4-methylpiperazin-4-ium-1-yl)carbonyl-phenyl]sulfonyl-(3-methylphenyl)azanide Openeye Name: [2-methyl-5-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]sulfonyl-(m-tolyl)azanide CAS Name: [2-methyl-5-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]phenyl]sulfonyl-(3-methylphenyl)azanide IUPAC Name: [2-methyl-5-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]sulfonyl-(3-methylphenyl)azanide Traditional Name: [2-methyl-5-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]sulfonyl-(m-tolyl)azanide Formula: C20H25N3O3S MolecularWeight: 387.4958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N3O3S/c1-15-5-4-6-18(13-15)21-27(25,26)19-14-17(8-7-16(19)2)20(24)23-11-9-22(3)10-12-23/h4-8,13-14H,9-12H2,1-3H3/q-1/p+1