5-methyl-1-[[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methyl]indole-2,3-dione

Systemtic Name: 5-methyl-1-[[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methyl]indole-2,3-dione Openeye Name: 5-methyl-1-[[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methyl]indoline-2,3-dione CAS Name: 5-methyl-1-[[4-(2-nitrophenyl)sulfonyl-1-piperazinyl]methyl]indole-2,3-dione IUPAC Name: 5-methyl-1-[[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methyl]indole-2,3-dione Traditional Name: 5-methyl-1-[[4-(2-nitrophenyl)sulfonylpiperazino]methyl]isatin Formula: C20H20N4O6S MolecularWeight: 444.461

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=O)C2=O)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=O)C2=O)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O6S/c1-14-6-7-16-15(12-14)19(25)20(26)23(16)13-21-8-10-22(11-9-21)31(29,30)18-5-3-2-4-17(18)24(27)28/h2-7,12H,8-11,13H2,1H3