3-(azepan-1-ylcarbonyl)-4-methoxy-N-[(4-morpholin-4-ylphenyl)methyl]benzenesulfonamide

Systemtic Name: 3-(azepan-1-ylcarbonyl)-4-methoxy-N-[(4-morpholin-4-ylphenyl)methyl]benzenesulfonamide Openeye Name: 3-(azepane-1-carbonyl)-4-methoxy-N-[(4-morpholinophenyl)methyl]benzenesulfonamide CAS Name: 3-[1-azepanyl(oxo)methyl]-4-methoxy-N-[[4-(4-morpholinyl)phenyl]methyl]benzenesulfonamide IUPAC Name: 3-(azepane-1-carbonyl)-4-methoxy-N-[(4-morpholin-4-ylphenyl)methyl]benzenesulfonamide Traditional Name: 3-(azepane-1-carbonyl)-4-methoxy-N-(4-morpholinobenzyl)benzenesulfonamide Formula: C25H33N3O5S MolecularWeight: 487.61162

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC=C(C=C2)N3CCOCC3)C(=O)N4CCCCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC=C(C=C2)N3CCOCC3)C(=O)N4CCCCCC4

InChI

InChI=1S/C25H33N3O5S/c1-32-24-11-10-22(18-23(24)25(29)28-12-4-2-3-5-13-28)34(30,31)26-19-20-6-8-21(9-7-20)27-14-16-33-17-15-27/h6-11,18,26H,2-5,12-17,19H2,1H3