N-[2-(2-methoxyphenoxy)ethyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide

Systemtic Name: N-[2-(2-methoxyphenoxy)ethyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Openeye Name: N-[2-(2-methoxyphenoxy)ethyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide CAS Name: N-[2-(2-methoxyphenoxy)ethyl]-3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]benzamide IUPAC Name: N-[2-(2-methoxyphenoxy)ethyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzamide Traditional Name: N-[2-(2-methoxyphenoxy)ethyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Formula: C21H28N3O5S+ MolecularWeight: 434.52912

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCCOC3=CC=CC=C3OC

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCCOC3=CC=CC=C3OC

InChI

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