(4-butoxy-3-ethoxy-phenyl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone

Systemtic Name: (4-butoxy-3-ethoxy-phenyl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Openeye Name: (4-butoxy-3-ethoxy-phenyl)-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]methanone CAS Name: (4-butoxy-3-ethoxyphenyl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone IUPAC Name: (4-butoxy-3-ethoxyphenyl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Traditional Name: (4-butoxy-3-ethoxy-phenyl)-(4-tosyl-1,4-diazepan-1-yl)methanone Formula: C25H34N2O5S MolecularWeight: 474.61286

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)N2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)N2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)OCC

InChI

InChI=1S/C25H34N2O5S/c1-4-6-18-32-23-13-10-21(19-24(23)31-5-2)25(28)26-14-7-15-27(17-16-26)33(29,30)22-11-8-20(3)9-12-22/h8-13,19H,4-7,14-18H2,1-3H3