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

Systemtic Name: [5-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]carbonyl-2-methyl-phenyl]sulfonyl-(4-methylphenyl)azanide Openeye Name: [5-[4-(2-hydroxyethyl)piperazin-4-ium-1-carbonyl]-2-methyl-phenyl]sulfonyl-(p-tolyl)azanide CAS Name: [5-[[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-oxomethyl]-2-methylphenyl]sulfonyl-(4-methylphenyl)azanide IUPAC Name: [5-[4-(2-hydroxyethyl)piperazin-4-ium-1-carbonyl]-2-methylphenyl]sulfonyl-(4-methylphenyl)azanide Traditional Name: [5-[4-(2-hydroxyethyl)piperazin-4-ium-1-carbonyl]-2-methyl-phenyl]sulfonyl-(p-tolyl)azanide Formula: C21H27N3O4S MolecularWeight: 417.52178

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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)CCO)C

Isomeric SMILES

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

InChI

InChI=1S/C21H26N3O4S/c1-16-3-7-19(8-4-16)22-29(27,28)20-15-18(6-5-17(20)2)21(26)24-11-9-23(10-12-24)13-14-25/h3-8,15,25H,9-14H2,1-2H3/q-1/p+1