4-ethoxy-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]benzamide

Systemtic Name: 4-ethoxy-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]benzamide Openeye Name: 4-ethoxy-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]benzamide CAS Name: 4-ethoxy-N-[2-[4-(4-methoxyphenyl)sulfonyl-1-piperazin-1-iumyl]ethyl]benzamide IUPAC Name: 4-ethoxy-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]benzamide Traditional Name: 4-ethoxy-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]benzamide Formula: C22H30N3O5S+ MolecularWeight: 448.5557

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NCC[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)NCC[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC

InChI

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