(4-ethoxy-3-nitro-phenyl)-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (4-ethoxy-3-nitro-phenyl)-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (4-ethoxy-3-nitro-phenyl)-[4-(4-isopropylphenyl)sulfonylpiperazin-1-yl]methanone CAS Name: (4-ethoxy-3-nitrophenyl)-[4-(4-propan-2-ylphenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (4-ethoxy-3-nitrophenyl)-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (4-ethoxy-3-nitro-phenyl)-(4-p-cumenylsulfonylpiperazino)methanone Formula: C22H27N3O6S MolecularWeight: 461.53128

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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=C(C=C3)C(C)C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O6S/c1-4-31-21-10-7-18(15-20(21)25(27)28)22(26)23-11-13-24(14-12-23)32(29,30)19-8-5-17(6-9-19)16(2)3/h5-10,15-16H,4,11-14H2,1-3H3