N-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]-3-phenoxy-benzamide

Systemtic Name: N-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]-3-phenoxy-benzamide Openeye Name: N-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]-3-phenoxy-benzamide CAS Name: N-[2-methoxy-5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-3-phenoxybenzamide IUPAC Name: N-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-3-phenoxybenzamide Traditional Name: N-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]-3-phenoxy-benzamide Formula: C25H28N3O5S+ MolecularWeight: 482.57192

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC)NC(=O)C3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC)NC(=O)C3=CC(=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C25H27N3O5S/c1-27-13-15-28(16-14-27)34(30,31)22-11-12-24(32-2)23(18-22)26-25(29)19-7-6-10-21(17-19)33-20-8-4-3-5-9-20/h3-12,17-18H,13-16H2,1-2H3,(H,26,29)/p+1