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

Systemtic Name: 4-methoxy-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]benzamide Openeye Name: 4-methoxy-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]benzamide CAS Name: 4-methoxy-N-[2-[4-(4-methoxyphenyl)sulfonyl-1-piperazin-1-iumyl]ethyl]benzamide IUPAC Name: 4-methoxy-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]benzamide Traditional Name: 4-methoxy-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]benzamide Formula: C21H28N3O5S+ MolecularWeight: 434.52912

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NCC[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NCC[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H27N3O5S/c1-28-18-5-3-17(4-6-18)21(25)22-11-12-23-13-15-24(16-14-23)30(26,27)20-9-7-19(29-2)8-10-20/h3-10H,11-16H2,1-2H3,(H,22,25)/p+1