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

Systemtic Name: 6-methyl-2-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-1H-benzimidazole Openeye Name: 6-methyl-2-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-1H-benzimidazole CAS Name: 6-methyl-2-[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]-1H-benzimidazole IUPAC Name: 6-methyl-2-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]-1H-benzimidazole Traditional Name: 6-methyl-2-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]-1H-benzimidazole Formula: C19H21N5O4S MolecularWeight: 415.46614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N2)N3CCN(CC3)S(=O)(=O)C4=C(C=CC(=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N2)N3CCN(CC3)S(=O)(=O)C4=C(C=CC(=C4)[N+](=O)[O-])C

InChI

InChI=1S/C19H21N5O4S/c1-13-3-6-16-17(11-13)21-19(20-16)22-7-9-23(10-8-22)29(27,28)18-12-15(24(25)26)5-4-14(18)2/h3-6,11-12H,7-10H2,1-2H3,(H,20,21)