(4-ethoxy-3-nitro-phenyl)-[4-(phenylsulfonyl)piperazin-1-yl]methanone

Systemtic Name: (4-ethoxy-3-nitro-phenyl)-[4-(phenylsulfonyl)piperazin-1-yl]methanone Openeye Name: [4-(benzenesulfonyl)piperazin-1-yl]-(4-ethoxy-3-nitro-phenyl)methanone CAS Name: [4-(benzenesulfonyl)-1-piperazinyl]-(4-ethoxy-3-nitrophenyl)methanone IUPAC Name: [4-(benzenesulfonyl)piperazin-1-yl]-(4-ethoxy-3-nitrophenyl)methanone Traditional Name: (4-besylpiperazino)-(4-ethoxy-3-nitro-phenyl)methanone Formula: C19H21N3O6S MolecularWeight: 419.45154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O6S/c1-2-28-18-9-8-15(14-17(18)22(24)25)19(23)20-10-12-21(13-11-20)29(26,27)16-6-4-3-5-7-16/h3-9,14H,2,10-13H2,1H3