2-(2-methoxy-4-prop-2-enyl-phenoxy)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone

Systemtic Name: 2-(2-methoxy-4-prop-2-enyl-phenoxy)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone Openeye Name: 2-(4-allyl-2-methoxy-phenoxy)-1-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]ethanone CAS Name: 2-(2-methoxy-4-prop-2-enylphenoxy)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-(2-methoxy-4-prop-2-enylphenoxy)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone Traditional Name: 2-(4-allyl-2-methoxy-phenoxy)-1-(4-tosyl-1,4-diazepan-1-yl)ethanone Formula: C24H30N2O5S MolecularWeight: 458.5704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)COC3=C(C=C(C=C3)CC=C)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)COC3=C(C=C(C=C3)CC=C)OC

InChI

InChI=1S/C24H30N2O5S/c1-4-6-20-9-12-22(23(17-20)30-3)31-18-24(27)25-13-5-14-26(16-15-25)32(28,29)21-10-7-19(2)8-11-21/h4,7-12,17H,1,5-6,13-16,18H2,2-3H3