2-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-methylsulfonyl-butanamide

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-methylsulfonyl-butanamide Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-methylsulfonyl-butanamide CAS Name: 2-(1,3-dioxo-2-isoindolyl)-N-[3-methyl-4-(4-methyl-1-piperazinyl)phenyl]-4-methylsulfonylbutanamide IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-methylsulfonylbutanamide Traditional Name: 4-mesyl-N-[3-methyl-4-(4-methylpiperazino)phenyl]-2-phthalimido-butyramide Formula: C25H30N4O5S MolecularWeight: 498.5945

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C(CCS(=O)(=O)C)N2C(=O)C3=CC=CC=C3C2=O)N4CCN(CC4)C

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C(CCS(=O)(=O)C)N2C(=O)C3=CC=CC=C3C2=O)N4CCN(CC4)C

InChI

InChI=1S/C25H30N4O5S/c1-17-16-18(8-9-21(17)28-13-11-27(2)12-14-28)26-23(30)22(10-15-35(3,33)34)29-24(31)19-6-4-5-7-20(19)25(29)32/h4-9,16,22H,10-15H2,1-3H3,(H,26,30)