(4-ethoxy-5-methoxy-2-nitro-phenyl)-[4-(phenylsulfonyl)piperazin-1-yl]methanone

Systemtic Name: (4-ethoxy-5-methoxy-2-nitro-phenyl)-[4-(phenylsulfonyl)piperazin-1-yl]methanone Openeye Name: [4-(benzenesulfonyl)piperazin-1-yl]-(4-ethoxy-5-methoxy-2-nitro-phenyl)methanone CAS Name: [4-(benzenesulfonyl)-1-piperazinyl]-(4-ethoxy-5-methoxy-2-nitrophenyl)methanone IUPAC Name: [4-(benzenesulfonyl)piperazin-1-yl]-(4-ethoxy-5-methoxy-2-nitrophenyl)methanone Traditional Name: (4-besylpiperazino)-(4-ethoxy-5-methoxy-2-nitro-phenyl)methanone Formula: C20H23N3O7S MolecularWeight: 449.47752

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)OC

InChI

InChI=1S/C20H23N3O7S/c1-3-30-19-14-17(23(25)26)16(13-18(19)29-2)20(24)21-9-11-22(12-10-21)31(27,28)15-7-5-4-6-8-15/h4-8,13-14H,3,9-12H2,1-2H3