4-(azepan-1-ylsulfonyl)-N-[(4-methoxyphenyl)methyl]-N-(pyridin-2-ylmethyl)benzenesulfonamide

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-[(4-methoxyphenyl)methyl]-N-(pyridin-2-ylmethyl)benzenesulfonamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-[(4-methoxyphenyl)methyl]-N-(2-pyridylmethyl)benzenesulfonamide CAS Name: 4-(1-azepanylsulfonyl)-N-[(4-methoxyphenyl)methyl]-N-(2-pyridinylmethyl)benzenesulfonamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-[(4-methoxyphenyl)methyl]-N-(pyridin-2-ylmethyl)benzenesulfonamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-p-anisyl-N-(2-pyridylmethyl)benzenesulfonamide Formula: C26H31N3O5S2 MolecularWeight: 529.67144

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN(CC2=CC=CC=N2)S(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)CN(CC2=CC=CC=N2)S(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C26H31N3O5S2/c1-34-24-11-9-22(10-12-24)20-29(21-23-8-4-5-17-27-23)36(32,33)26-15-13-25(14-16-26)35(30,31)28-18-6-2-3-7-19-28/h4-5,8-17H,2-3,6-7,18-21H2,1H3