N-[5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]sulfonyl-2-methoxy-phenyl]ethanamide

Systemtic Name: N-[5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]sulfonyl-2-methoxy-phenyl]ethanamide Openeye Name: N-[5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]sulfonyl-2-methoxy-phenyl]acetamide CAS Name: N-[5-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]sulfonyl]-2-methoxyphenyl]acetamide IUPAC Name: N-[5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]sulfonyl-2-methoxyphenyl]acetamide Traditional Name: N-[2-methoxy-5-(4-piperonylpiperazin-4-ium-1-yl)sulfonyl-phenyl]acetamide Formula: C21H26N3O6S+ MolecularWeight: 448.51264

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)OC

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)OC

InChI

InChI=1S/C21H25N3O6S/c1-15(25)22-18-12-17(4-6-19(18)28-2)31(26,27)24-9-7-23(8-10-24)13-16-3-5-20-21(11-16)30-14-29-20/h3-6,11-12H,7-10,13-14H2,1-2H3,(H,22,25)/p+1