1,3-dimethyl-5-nitro-6-[4-(phenylsulfonyl)piperazin-1-yl]benzimidazol-2-one

Systemtic Name: 1,3-dimethyl-5-nitro-6-[4-(phenylsulfonyl)piperazin-1-yl]benzimidazol-2-one Openeye Name: 5-[4-(benzenesulfonyl)piperazin-1-yl]-1,3-dimethyl-6-nitro-benzimidazol-2-one CAS Name: 5-[4-(benzenesulfonyl)-1-piperazinyl]-1,3-dimethyl-6-nitro-2-benzimidazolone IUPAC Name: 5-[4-(benzenesulfonyl)piperazin-1-yl]-1,3-dimethyl-6-nitrobenzimidazol-2-one Traditional Name: 5-(4-besylpiperazino)-1,3-dimethyl-6-nitro-benzimidazol-2-one Formula: C19H21N5O5S MolecularWeight: 431.46554

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC(=C(C=C2N(C1=O)C)[N+](=O)[O-])N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CN1C2=CC(=C(C=C2N(C1=O)C)[N+](=O)[O-])N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C19H21N5O5S/c1-20-15-12-17(18(24(26)27)13-16(15)21(2)19(20)25)22-8-10-23(11-9-22)30(28,29)14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3