N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-9H-xanthene-9-carboxamide

Systemtic Name: N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-9H-xanthene-9-carboxamide Openeye Name: N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-9H-xanthene-9-carboxamide CAS Name: N-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-9H-xanthene-9-carboxamide IUPAC Name: N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-9H-xanthene-9-carboxamide Traditional Name: N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-9H-xanthene-9-carboxamide Formula: C25H26N3O4S+ MolecularWeight: 464.55664

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35

InChI

InChI=1S/C25H25N3O4S/c1-27-14-16-28(17-15-27)33(30,31)19-12-10-18(11-13-19)26-25(29)24-20-6-2-4-8-22(20)32-23-9-5-3-7-21(23)24/h2-13,24H,14-17H2,1H3,(H,26,29)/p+1