1-(4-ethoxyphenyl)-2-[4-(4-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone

Systemtic Name: 1-(4-ethoxyphenyl)-2-[4-(4-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone Openeye Name: 1-(4-ethoxyphenyl)-2-[4-(4-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone CAS Name: 1-(4-ethoxyphenyl)-2-[4-(4-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone IUPAC Name: 1-(4-ethoxyphenyl)-2-[4-(4-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone Traditional Name: 2-[4-(4-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]-1-p-phenetyl-ethanone Formula: C22H28N2O5S MolecularWeight: 432.53312

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)CN2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)CN2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H28N2O5S/c1-3-29-20-7-5-18(6-8-20)22(25)17-23-13-4-14-24(16-15-23)30(26,27)21-11-9-19(28-2)10-12-21/h5-12H,3-4,13-17H2,1-2H3