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

Systemtic Name: 3-(azepan-1-ylcarbonyl)-4-methoxy-N-[(4-piperidin-1-ylphenyl)methyl]benzenesulfonamide Openeye Name: 3-(azepane-1-carbonyl)-4-methoxy-N-[[4-(1-piperidyl)phenyl]methyl]benzenesulfonamide CAS Name: 3-[1-azepanyl(oxo)methyl]-4-methoxy-N-[[4-(1-piperidinyl)phenyl]methyl]benzenesulfonamide IUPAC Name: 3-(azepane-1-carbonyl)-4-methoxy-N-[(4-piperidin-1-ylphenyl)methyl]benzenesulfonamide Traditional Name: 3-(azepane-1-carbonyl)-4-methoxy-N-(4-piperidinobenzyl)benzenesulfonamide Formula: C26H35N3O4S MolecularWeight: 485.6388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC=C(C=C2)N3CCCCC3)C(=O)N4CCCCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC=C(C=C2)N3CCCCC3)C(=O)N4CCCCCC4

InChI

InChI=1S/C26H35N3O4S/c1-33-25-14-13-23(19-24(25)26(30)29-17-5-2-3-6-18-29)34(31,32)27-20-21-9-11-22(12-10-21)28-15-7-4-8-16-28/h9-14,19,27H,2-8,15-18,20H2,1H3