N,N-dimethyl-4-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: N,N-dimethyl-4-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]carbonyl-benzenesulfonamide Openeye Name: N,N-dimethyl-4-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzenesulfonamide CAS Name: N,N-dimethyl-4-[[4-(6-nitro-1,3-benzothiazol-2-yl)-1-piperazinyl]-oxomethyl]benzenesulfonamide IUPAC Name: N,N-dimethyl-4-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzenesulfonamide Traditional Name: N,N-dimethyl-4-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzenesulfonamide Formula: C20H21N5O5S2 MolecularWeight: 475.54124

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O5S2/c1-22(2)32(29,30)16-6-3-14(4-7-16)19(26)23-9-11-24(12-10-23)20-21-17-8-5-15(25(27)28)13-18(17)31-20/h3-8,13H,9-12H2,1-2H3