N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-2-(2-propoxyphenoxy)ethanamide

Systemtic Name: N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-2-(2-propoxyphenoxy)ethanamide Openeye Name: N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-2-(2-propoxyphenoxy)acetamide CAS Name: N-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-2-(2-propoxyphenoxy)acetamide IUPAC Name: N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-2-(2-propoxyphenoxy)acetamide Traditional Name: N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-2-(2-propoxyphenoxy)acetamide Formula: C22H30N3O5S+ MolecularWeight: 448.5557

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CCCOC1=CC=CC=C1OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C22H29N3O5S/c1-3-16-29-20-6-4-5-7-21(20)30-17-22(26)23-18-8-10-19(11-9-18)31(27,28)25-14-12-24(2)13-15-25/h4-11H,3,12-17H2,1-2H3,(H,23,26)/p+1