3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-azepane

Systemtic Name: 3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-azepane Openeye Name: 3-(2-methoxyphenyl)-1-(p-tolylsulfonyl)azepane CAS Name: 3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylazepane IUPAC Name: 3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylazepane Traditional Name: 3-(2-methoxyphenyl)-1-tosyl-azepane Formula: C20H25NO3S MolecularWeight: 359.4824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCCC(C2)C3=CC=CC=C3OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCCC(C2)C3=CC=CC=C3OC

InChI

InChI=1S/C20H25NO3S/c1-16-10-12-18(13-11-16)25(22,23)21-14-6-5-7-17(15-21)19-8-3-4-9-20(19)24-2/h3-4,8-13,17H,5-7,14-15H2,1-2H3