(4-butoxy-3-ethoxy-phenyl)-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (4-butoxy-3-ethoxy-phenyl)-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (4-butoxy-3-ethoxy-phenyl)-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methanone CAS Name: (4-butoxy-3-ethoxyphenyl)-[4-(4-nitrophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (4-butoxy-3-ethoxyphenyl)-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (4-butoxy-3-ethoxy-phenyl)-(4-nosylpiperazino)methanone Formula: C23H29N3O7S MolecularWeight: 491.55726

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])OCC

InChI

InChI=1S/C23H29N3O7S/c1-3-5-16-33-21-11-6-18(17-22(21)32-4-2)23(27)24-12-14-25(15-13-24)34(30,31)20-9-7-19(8-10-20)26(28)29/h6-11,17H,3-5,12-16H2,1-2H3