2-tert-butyl-5-(4-methylsulfonylpiperazin-1-yl)-6-nitro-1,3-benzothiazole

Systemtic Name: 2-tert-butyl-5-(4-methylsulfonylpiperazin-1-yl)-6-nitro-1,3-benzothiazole Openeye Name: 2-tert-butyl-5-(4-methylsulfonylpiperazin-1-yl)-6-nitro-1,3-benzothiazole CAS Name: 2-tert-butyl-5-(4-methylsulfonyl-1-piperazinyl)-6-nitro-1,3-benzothiazole IUPAC Name: 2-tert-butyl-5-(4-methylsulfonylpiperazin-1-yl)-6-nitro-1,3-benzothiazole Traditional Name: 2-tert-butyl-5-(4-mesylpiperazino)-6-nitro-1,3-benzothiazole Formula: C16H22N4O4S2 MolecularWeight: 398.50028

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC2=CC(=C(C=C2S1)[N+](=O)[O-])N3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CC(C)(C)C1=NC2=CC(=C(C=C2S1)[N+](=O)[O-])N3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C16H22N4O4S2/c1-16(2,3)15-17-11-9-12(13(20(21)22)10-14(11)25-15)18-5-7-19(8-6-18)26(4,23)24/h9-10H,5-8H2,1-4H3