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

Systemtic Name: [5-(4-ethylpiperazin-4-ium-1-yl)carbonyl-2-methyl-phenyl]sulfonyl-(3-methylphenyl)azanide Openeye Name: [5-(4-ethylpiperazin-4-ium-1-carbonyl)-2-methyl-phenyl]sulfonyl-(m-tolyl)azanide CAS Name: [5-[(4-ethyl-1-piperazin-4-iumyl)-oxomethyl]-2-methylphenyl]sulfonyl-(3-methylphenyl)azanide IUPAC Name: [5-(4-ethylpiperazin-4-ium-1-carbonyl)-2-methylphenyl]sulfonyl-(3-methylphenyl)azanide Traditional Name: [5-(4-ethylpiperazin-4-ium-1-carbonyl)-2-methyl-phenyl]sulfonyl-(m-tolyl)azanide Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2=CC(=C(C=C2)C)S(=O)(=O)[N-]C3=CC=CC(=C3)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C2=CC(=C(C=C2)C)S(=O)(=O)[N-]C3=CC=CC(=C3)C

InChI

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