3-methyl-1-(4-methyl-1-oxidanylidene-2,3-benzoxazin-6-yl)-4-[6-(4-methylsulfonylpiperazin-1-yl)hexyl]pyrrole-2,5-dione

Systemtic Name: 3-methyl-1-(4-methyl-1-oxidanylidene-2,3-benzoxazin-6-yl)-4-[6-(4-methylsulfonylpiperazin-1-yl)hexyl]pyrrole-2,5-dione Openeye Name: 3-methyl-1-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-4-[6-(4-methylsulfonylpiperazin-1-yl)hexyl]pyrrole-2,5-dione CAS Name: 3-methyl-1-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-4-[6-(4-methylsulfonyl-1-piperazinyl)hexyl]pyrrole-2,5-dione IUPAC Name: 3-methyl-1-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-4-[6-(4-methylsulfonylpiperazin-1-yl)hexyl]pyrrole-2,5-dione Traditional Name: 1-(1-keto-4-methyl-2,3-benzoxazin-6-yl)-3-[6-(4-mesylpiperazino)hexyl]-4-methyl-3-pyrroline-2,5-quinone Formula: C25H32N4O6S MolecularWeight: 516.60978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C1=O)C2=CC3=C(C=C2)C(=O)ON=C3C)CCCCCCN4CCN(CC4)S(=O)(=O)C

Isomeric SMILES

CC1=C(C(=O)N(C1=O)C2=CC3=C(C=C2)C(=O)ON=C3C)CCCCCCN4CCN(CC4)S(=O)(=O)C

InChI

InChI=1S/C25H32N4O6S/c1-17-20(8-6-4-5-7-11-27-12-14-28(15-13-27)36(3,33)34)24(31)29(23(17)30)19-9-10-21-22(16-19)18(2)26-35-25(21)32/h9-10,16H,4-8,11-15H2,1-3H3