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

Systemtic Name: [4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-(4-ethoxy-3-nitro-phenyl)methanone Openeye Name: (4-ethoxy-3-nitro-phenyl)-[4-(4-sec-butylphenyl)sulfonylpiperazin-1-yl]methanone CAS Name: [4-(4-butan-2-ylphenyl)sulfonyl-1-piperazinyl]-(4-ethoxy-3-nitrophenyl)methanone IUPAC Name: [4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-(4-ethoxy-3-nitrophenyl)methanone Traditional Name: (4-ethoxy-3-nitro-phenyl)-[4-(4-sec-butylphenyl)sulfonylpiperazino]methanone Formula: C23H29N3O6S MolecularWeight: 475.55786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O6S/c1-4-17(3)18-6-9-20(10-7-18)33(30,31)25-14-12-24(13-15-25)23(27)19-8-11-22(32-5-2)21(16-19)26(28)29/h6-11,16-17H,4-5,12-15H2,1-3H3