1,3-dimethyl-5-[4-(4-nitrophenyl)carbonylpiperazin-1-yl]sulfonyl-benzimidazol-2-one

Systemtic Name: 1,3-dimethyl-5-[4-(4-nitrophenyl)carbonylpiperazin-1-yl]sulfonyl-benzimidazol-2-one Openeye Name: 1,3-dimethyl-5-[4-(4-nitrobenzoyl)piperazin-1-yl]sulfonyl-benzimidazol-2-one CAS Name: 1,3-dimethyl-5-[[4-[(4-nitrophenyl)-oxomethyl]-1-piperazinyl]sulfonyl]-2-benzimidazolone IUPAC Name: 1,3-dimethyl-5-[4-(4-nitrobenzoyl)piperazin-1-yl]sulfonylbenzimidazol-2-one Traditional Name: 1,3-dimethyl-5-[4-(4-nitrobenzoyl)piperazino]sulfonyl-benzimidazol-2-one Formula: C20H21N5O6S MolecularWeight: 459.47564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)C4=CC=C(C=C4)[N+](=O)[O-])N(C1=O)C

Isomeric SMILES

CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)C4=CC=C(C=C4)[N+](=O)[O-])N(C1=O)C

InChI

InChI=1S/C20H21N5O6S/c1-21-17-8-7-16(13-18(17)22(2)20(21)27)32(30,31)24-11-9-23(10-12-24)19(26)14-3-5-15(6-4-14)25(28)29/h3-8,13H,9-12H2,1-2H3