[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]-[1-(phenylsulfonyl)piperidin-3-yl]methanone

Systemtic Name: [4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]-[1-(phenylsulfonyl)piperidin-3-yl]methanone Openeye Name: [1-(benzenesulfonyl)-3-piperidyl]-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone CAS Name: [1-(benzenesulfonyl)-3-piperidinyl]-[4-(6-nitro-1,3-benzothiazol-2-yl)-1-piperazinyl]methanone IUPAC Name: [1-(benzenesulfonyl)piperidin-3-yl]-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Traditional Name: (1-besyl-3-piperidyl)-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazino]methanone Formula: C23H25N5O5S2 MolecularWeight: 515.6051

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)N3CCN(CC3)C4=NC5=C(S4)C=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)N3CCN(CC3)C4=NC5=C(S4)C=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C23H25N5O5S2/c29-22(17-5-4-10-27(16-17)35(32,33)19-6-2-1-3-7-19)25-11-13-26(14-12-25)23-24-20-9-8-18(28(30)31)15-21(20)34-23/h1-3,6-9,15,17H,4-5,10-14,16H2