1,3,5-trimethyl-6-[4-(4-morpholin-4-ylcarbonyl-2-nitro-phenyl)piperazin-1-yl]sulfonyl-benzimidazol-2-one

Systemtic Name: 1,3,5-trimethyl-6-[4-(4-morpholin-4-ylcarbonyl-2-nitro-phenyl)piperazin-1-yl]sulfonyl-benzimidazol-2-one Openeye Name: 1,3,5-trimethyl-6-[4-[4-(morpholine-4-carbonyl)-2-nitro-phenyl]piperazin-1-yl]sulfonyl-benzimidazol-2-one CAS Name: 1,3,5-trimethyl-6-[[4-[4-[4-morpholinyl(oxo)methyl]-2-nitrophenyl]-1-piperazinyl]sulfonyl]-2-benzimidazolone IUPAC Name: 1,3,5-trimethyl-6-[4-[4-(morpholine-4-carbonyl)-2-nitrophenyl]piperazin-1-yl]sulfonylbenzimidazol-2-one Traditional Name: 1,3,5-trimethyl-6-[4-[4-(morpholine-4-carbonyl)-2-nitro-phenyl]piperazino]sulfonyl-benzimidazol-2-one Formula: C25H30N6O7S MolecularWeight: 558.6067

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1S(=O)(=O)N3CCN(CC3)C4=C(C=C(C=C4)C(=O)N5CCOCC5)[N+](=O)[O-])N(C(=O)N2C)C

Isomeric SMILES

CC1=CC2=C(C=C1S(=O)(=O)N3CCN(CC3)C4=C(C=C(C=C4)C(=O)N5CCOCC5)[N+](=O)[O-])N(C(=O)N2C)C

InChI

InChI=1S/C25H30N6O7S/c1-17-14-20-21(27(3)25(33)26(20)2)16-23(17)39(36,37)30-8-6-28(7-9-30)19-5-4-18(15-22(19)31(34)35)24(32)29-10-12-38-13-11-29/h4-5,14-16H,6-13H2,1-3H3