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

Systemtic Name: (E)-3-(4-ethoxyphenyl)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(4-ethoxyphenyl)-1-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]prop-2-en-1-one CAS Name: (E)-3-(4-ethoxyphenyl)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-propen-1-one IUPAC Name: (E)-3-(4-ethoxyphenyl)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]prop-2-en-1-one Traditional Name: (E)-3-p-phenetyl-1-(4-tosyl-1,4-diazepan-1-yl)prop-2-en-1-one Formula: C23H28N2O4S MolecularWeight: 428.54442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C=CC(=O)N2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)/C=C/C(=O)N2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C23H28N2O4S/c1-3-29-21-10-7-20(8-11-21)9-14-23(26)24-15-4-16-25(18-17-24)30(27,28)22-12-5-19(2)6-13-22/h5-14H,3-4,15-18H2,1-2H3/b14-9+