N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-[4-(4-nitrophenyl)piperazin-1-yl]ethanamide

Systemtic Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-[4-(4-nitrophenyl)piperazin-1-yl]ethanamide Openeye Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide CAS Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-[4-(4-nitrophenyl)-1-piperazinyl]acetamide IUPAC Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide Traditional Name: N-(6-mesyl-1,3-benzothiazol-2-yl)-2-[4-(4-nitrophenyl)piperazino]acetamide Formula: C20H21N5O5S2 MolecularWeight: 475.54124

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CN3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CN3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O5S2/c1-32(29,30)16-6-7-17-18(12-16)31-20(21-17)22-19(26)13-23-8-10-24(11-9-23)14-2-4-15(5-3-14)25(27)28/h2-7,12H,8-11,13H2,1H3,(H,21,22,26)