[5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]carbonyl-2-methyl-phenyl]sulfonyl-(4-methylphenyl)azanide

Systemtic Name: [5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]carbonyl-2-methyl-phenyl]sulfonyl-(4-methylphenyl)azanide Openeye Name: [5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbonyl]-2-methyl-phenyl]sulfonyl-(p-tolyl)azanide CAS Name: [5-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-oxomethyl]-2-methylphenyl]sulfonyl-(4-methylphenyl)azanide IUPAC Name: [5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbonyl]-2-methylphenyl]sulfonyl-(4-methylphenyl)azanide Traditional Name: [2-methyl-5-(4-piperonylpiperazin-4-ium-1-carbonyl)phenyl]sulfonyl-(p-tolyl)azanide Formula: C27H29N3O5S MolecularWeight: 507.60126

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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=CC5=C(C=C4)OCO5)C

Isomeric SMILES

CC1=CC=C(C=C1)[N-]S(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5)C

InChI

InChI=1S/C27H28N3O5S/c1-19-3-8-23(9-4-19)28-36(32,33)26-16-22(7-5-20(26)2)27(31)30-13-11-29(12-14-30)17-21-6-10-24-25(15-21)35-18-34-24/h3-10,15-16H,11-14,17-18H2,1-2H3/q-1/p+1