2-(4-methoxyphenyl)-1-(phenylmethyl)sulfonyl-azepane

Systemtic Name: 2-(4-methoxyphenyl)-1-(phenylmethyl)sulfonyl-azepane Openeye Name: 1-benzylsulfonyl-2-(4-methoxyphenyl)azepane CAS Name: 2-(4-methoxyphenyl)-1-(phenylmethyl)sulfonylazepane IUPAC Name: 1-benzylsulfonyl-2-(4-methoxyphenyl)azepane Traditional Name: 1-benzylsulfonyl-2-(4-methoxyphenyl)azepane Formula: C20H25NO3S MolecularWeight: 359.4824

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCCCN2S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)C2CCCCCN2S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C20H25NO3S/c1-24-19-13-11-18(12-14-19)20-10-6-3-7-15-21(20)25(22,23)16-17-8-4-2-5-9-17/h2,4-5,8-9,11-14,20H,3,6-7,10,15-16H2,1H3