4-(1,3-benzothiazol-2-yl)-1-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]butan-1-one

Systemtic Name: 4-(1,3-benzothiazol-2-yl)-1-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]butan-1-one Openeye Name: 4-(1,3-benzothiazol-2-yl)-1-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]butan-1-one CAS Name: 4-(1,3-benzothiazol-2-yl)-1-[4-(4-methylsulfonyl-2-nitrophenyl)-1-piperazinyl]-1-butanone IUPAC Name: 4-(1,3-benzothiazol-2-yl)-1-[4-(4-methylsulfonyl-2-nitrophenyl)piperazin-1-yl]butan-1-one Traditional Name: 4-(1,3-benzothiazol-2-yl)-1-[4-(4-mesyl-2-nitro-phenyl)piperazino]butan-1-one Formula: C22H24N4O5S2 MolecularWeight: 488.57976

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)CCCC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)CCCC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

InChI

InChI=1S/C22H24N4O5S2/c1-33(30,31)16-9-10-18(19(15-16)26(28)29)24-11-13-25(14-12-24)22(27)8-4-7-21-23-17-5-2-3-6-20(17)32-21/h2-3,5-6,9-10,15H,4,7-8,11-14H2,1H3