(E)-3-(3-methoxy-4-propoxy-phenyl)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(3-methoxy-4-propoxy-phenyl)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(3-methoxy-4-propoxy-phenyl)-1-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]prop-2-en-1-one CAS Name: (E)-3-(3-methoxy-4-propoxyphenyl)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-propen-1-one IUPAC Name: (E)-3-(3-methoxy-4-propoxyphenyl)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(3-methoxy-4-propoxy-phenyl)-1-(4-tosyl-1,4-diazepan-1-yl)prop-2-en-1-one Formula: C25H32N2O5S MolecularWeight: 472.59698

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C=CC(=O)N2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)/C=C/C(=O)N2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)OC

InChI

InChI=1S/C25H32N2O5S/c1-4-18-32-23-12-8-21(19-24(23)31-3)9-13-25(28)26-14-5-15-27(17-16-26)33(29,30)22-10-6-20(2)7-11-22/h6-13,19H,4-5,14-18H2,1-3H3/b13-9+