1-methyl-2-[[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methyl]benzimidazole

Systemtic Name: 1-methyl-2-[[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methyl]benzimidazole Openeye Name: 1-methyl-2-[[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methyl]benzimidazole CAS Name: 1-methyl-2-[[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]methyl]benzimidazole IUPAC Name: 1-methyl-2-[[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]methyl]benzimidazole Traditional Name: 1-methyl-2-[[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]methyl]benzimidazole Formula: C20H23N5O4S MolecularWeight: 429.49272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4N3C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4N3C

InChI

InChI=1S/C20H23N5O4S/c1-15-7-8-16(25(26)27)13-19(15)30(28,29)24-11-9-23(10-12-24)14-20-21-17-5-3-4-6-18(17)22(20)2/h3-8,13H,9-12,14H2,1-2H3