2-[4-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)piperazin-1-yl]-1,3-benzothiazole

Systemtic Name: 2-[4-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)piperazin-1-yl]-1,3-benzothiazole Openeye Name: 2-[4-[2-nitro-4-(1-piperidylsulfonyl)phenyl]piperazin-1-yl]-1,3-benzothiazole CAS Name: 2-[4-[2-nitro-4-(1-piperidinylsulfonyl)phenyl]-1-piperazinyl]-1,3-benzothiazole IUPAC Name: 2-[4-(2-nitro-4-piperidin-1-ylsulfonylphenyl)piperazin-1-yl]-1,3-benzothiazole Traditional Name: 2-[4-(2-nitro-4-piperidinosulfonyl-phenyl)piperazino]-1,3-benzothiazole Formula: C22H25N5O4S2 MolecularWeight: 487.595

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)C4=NC5=CC=CC=C5S4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)C4=NC5=CC=CC=C5S4)[N+](=O)[O-]

InChI

InChI=1S/C22H25N5O4S2/c28-27(29)20-16-17(33(30,31)26-10-4-1-5-11-26)8-9-19(20)24-12-14-25(15-13-24)22-23-18-6-2-3-7-21(18)32-22/h2-3,6-9,16H,1,4-5,10-15H2