1-[2-(4-ethoxyphenoxy)ethyl]-4-(4-methylphenyl)sulfonyl-1,4-diazepane

Systemtic Name: 1-[2-(4-ethoxyphenoxy)ethyl]-4-(4-methylphenyl)sulfonyl-1,4-diazepane Openeye Name: 1-[2-(4-ethoxyphenoxy)ethyl]-4-(p-tolylsulfonyl)-1,4-diazepane CAS Name: 1-[2-(4-ethoxyphenoxy)ethyl]-4-(4-methylphenyl)sulfonyl-1,4-diazepane IUPAC Name: 1-[2-(4-ethoxyphenoxy)ethyl]-4-(4-methylphenyl)sulfonyl-1,4-diazepane Traditional Name: 1-[2-(4-ethoxyphenoxy)ethyl]-4-tosyl-1,4-diazepane Formula: C22H30N2O4S MolecularWeight: 418.5496

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OCCN2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)OCCN2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H30N2O4S/c1-3-27-20-7-9-21(10-8-20)28-18-17-23-13-4-14-24(16-15-23)29(25,26)22-11-5-19(2)6-12-22/h5-12H,3-4,13-18H2,1-2H3