N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-N-(4-phenylmethoxyphenyl)methanesulfonamide

Systemtic Name: N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-N-(4-phenylmethoxyphenyl)methanesulfonamide Openeye Name: N-[2-(azepan-1-yl)-2-oxo-ethyl]-N-(4-benzyloxyphenyl)methanesulfonamide CAS Name: N-[2-(1-azepanyl)-2-oxoethyl]-N-(4-phenylmethoxyphenyl)methanesulfonamide IUPAC Name: N-[2-(azepan-1-yl)-2-oxoethyl]-N-(4-phenylmethoxyphenyl)methanesulfonamide Traditional Name: N-[2-(azepan-1-yl)-2-keto-ethyl]-N-(4-benzoxyphenyl)methanesulfonamide Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(=O)N1CCCCCC1)C2=CC=C(C=C2)OCC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)N(CC(=O)N1CCCCCC1)C2=CC=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C22H28N2O4S/c1-29(26,27)24(17-22(25)23-15-7-2-3-8-16-23)20-11-13-21(14-12-20)28-18-19-9-5-4-6-10-19/h4-6,9-14H,2-3,7-8,15-18H2,1H3