N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-3-(2-phenoxyethoxy)benzamide

Systemtic Name: N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-3-(2-phenoxyethoxy)benzamide Openeye Name: N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-3-(2-phenoxyethoxy)benzamide CAS Name: N-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-3-(2-phenoxyethoxy)benzamide IUPAC Name: N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-3-(2-phenoxyethoxy)benzamide Traditional Name: N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-3-(2-phenoxyethoxy)benzamide Formula: C26H30N3O5S+ MolecularWeight: 496.5985

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)OCCOC4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)OCCOC4=CC=CC=C4

InChI

InChI=1S/C26H29N3O5S/c1-28-14-16-29(17-15-28)35(31,32)25-12-10-22(11-13-25)27-26(30)21-6-5-9-24(20-21)34-19-18-33-23-7-3-2-4-8-23/h2-13,20H,14-19H2,1H3,(H,27,30)/p+1