(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-[3-(4-methylpiperazin-4-ium-1-yl)carbonylphenyl]sulfonyl-azanide

Systemtic Name: (1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-[3-(4-methylpiperazin-4-ium-1-yl)carbonylphenyl]sulfonyl-azanide Openeye Name: (1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-[3-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]sulfonyl-azanide CAS Name: (1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-[3-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]phenyl]sulfonylazanide IUPAC Name: (1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-[3-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]sulfonylazanide Traditional Name: (3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-[3-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]sulfonyl-azanide Formula: C23H27N5O4S MolecularWeight: 469.55658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)[N-]S(=O)(=O)C3=CC=CC(=C3)C(=O)N4CC[NH+](CC4)C

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)[N-]S(=O)(=O)C3=CC=CC(=C3)C(=O)N4CC[NH+](CC4)C

InChI

InChI=1S/C23H26N5O4S/c1-17-21(23(30)28(26(17)3)19-9-5-4-6-10-19)24-33(31,32)20-11-7-8-18(16-20)22(29)27-14-12-25(2)13-15-27/h4-11,16H,12-15H2,1-3H3/q-1/p+1