2-[[4-(2,3-dimethyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methyl]-1,3-benzothiazole

Systemtic Name: 2-[[4-(2,3-dimethyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methyl]-1,3-benzothiazole Openeye Name: 2-[[4-(2,3-dimethyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methyl]-1,3-benzothiazole CAS Name: 2-[[4-(2,3-dimethyl-5-nitrophenyl)sulfonyl-1-piperazinyl]methyl]-1,3-benzothiazole IUPAC Name: 2-[[4-(2,3-dimethyl-5-nitrophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-benzothiazole Traditional Name: 2-[[4-(2,3-dimethyl-5-nitro-phenyl)sulfonylpiperazino]methyl]-1,3-benzothiazole Formula: C20H22N4O4S2 MolecularWeight: 446.54308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)S(=O)(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1C)S(=O)(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O4S2/c1-14-11-16(24(25)26)12-19(15(14)2)30(27,28)23-9-7-22(8-10-23)13-20-21-17-5-3-4-6-18(17)29-20/h3-6,11-12H,7-10,13H2,1-2H3