[4-[(2-nitrophenoxy)methyl]thiophen-2-yl]-[4-(phenylsulfonyl)piperazin-1-yl]methanone

Systemtic Name: [4-[(2-nitrophenoxy)methyl]thiophen-2-yl]-[4-(phenylsulfonyl)piperazin-1-yl]methanone Openeye Name: [4-(benzenesulfonyl)piperazin-1-yl]-[4-[(2-nitrophenoxy)methyl]-2-thienyl]methanone CAS Name: [4-(benzenesulfonyl)-1-piperazinyl]-[4-[(2-nitrophenoxy)methyl]-2-thiophenyl]methanone IUPAC Name: [4-(benzenesulfonyl)piperazin-1-yl]-[4-[(2-nitrophenoxy)methyl]thiophen-2-yl]methanone Traditional Name: (4-besylpiperazino)-[4-[(2-nitrophenoxy)methyl]-2-thienyl]methanone Formula: C22H21N3O6S2 MolecularWeight: 487.54864

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC(=CS2)COC3=CC=CC=C3[N+](=O)[O-])S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC(=CS2)COC3=CC=CC=C3[N+](=O)[O-])S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H21N3O6S2/c26-22(23-10-12-24(13-11-23)33(29,30)18-6-2-1-3-7-18)21-14-17(16-32-21)15-31-20-9-5-4-8-19(20)25(27)28/h1-9,14,16H,10-13,15H2