[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-(2-methoxy-5-nitro-phenyl)methanone

Systemtic Name: [4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-(2-methoxy-5-nitro-phenyl)methanone Openeye Name: [4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-(2-methoxy-5-nitro-phenyl)methanone CAS Name: [4-(4-ethoxyphenyl)sulfonyl-1-piperazinyl]-(2-methoxy-5-nitrophenyl)methanone IUPAC Name: [4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-(2-methoxy-5-nitrophenyl)methanone Traditional Name: (2-methoxy-5-nitro-phenyl)-(4-p-phenetylsulfonylpiperazino)methanone Formula: C20H23N3O7S MolecularWeight: 449.47752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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