(4-butoxy-3-methoxy-phenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (4-butoxy-3-methoxy-phenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (4-butoxy-3-methoxy-phenyl)-[4-(p-tolylsulfonyl)piperazin-1-yl]methanone CAS Name: (4-butoxy-3-methoxyphenyl)-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (4-butoxy-3-methoxyphenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (4-butoxy-3-methoxy-phenyl)-(4-tosylpiperazino)methanone Formula: C23H30N2O5S MolecularWeight: 446.5597

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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)C)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)OC

InChI

InChI=1S/C23H30N2O5S/c1-4-5-16-30-21-11-8-19(17-22(21)29-3)23(26)24-12-14-25(15-13-24)31(27,28)20-9-6-18(2)7-10-20/h6-11,17H,4-5,12-16H2,1-3H3