3-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]propanamide

Systemtic Name: 3-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]propanamide Openeye Name: 3-(1,3-dioxoisoindolin-2-yl)-N-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]propanamide CAS Name: 3-(1,3-dioxo-2-isoindolyl)-N-[2-methoxy-5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]propanamide IUPAC Name: 3-(1,3-dioxoisoindol-2-yl)-N-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]propanamide Traditional Name: N-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]-3-phthalimido-propionamide Formula: C23H27N4O6S+ MolecularWeight: 487.54868

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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)CCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC)NC(=O)CCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C23H26N4O6S/c1-25-11-13-26(14-12-25)34(31,32)16-7-8-20(33-2)19(15-16)24-21(28)9-10-27-22(29)17-5-3-4-6-18(17)23(27)30/h3-8,15H,9-14H2,1-2H3,(H,24,28)/p+1