3-(azepan-1-ylcarbonyl)-4-methoxy-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzenesulfonamide

Systemtic Name: 3-(azepan-1-ylcarbonyl)-4-methoxy-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzenesulfonamide Openeye Name: 3-(azepane-1-carbonyl)-4-methoxy-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzenesulfonamide CAS Name: 3-[1-azepanyl(oxo)methyl]-4-methoxy-N-[[2-(2-methyl-1-imidazolyl)phenyl]methyl]benzenesulfonamide IUPAC Name: 3-(azepane-1-carbonyl)-4-methoxy-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzenesulfonamide Traditional Name: 3-(azepane-1-carbonyl)-4-methoxy-N-[2-(2-methylimidazol-1-yl)benzyl]benzenesulfonamide Formula: C25H30N4O4S MolecularWeight: 482.5951

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CN1C2=CC=CC=C2CNS(=O)(=O)C3=CC(=C(C=C3)OC)C(=O)N4CCCCCC4

Isomeric SMILES

CC1=NC=CN1C2=CC=CC=C2CNS(=O)(=O)C3=CC(=C(C=C3)OC)C(=O)N4CCCCCC4

InChI

InChI=1S/C25H30N4O4S/c1-19-26-13-16-29(19)23-10-6-5-9-20(23)18-27-34(31,32)21-11-12-24(33-2)22(17-21)25(30)28-14-7-3-4-8-15-28/h5-6,9-13,16-17,27H,3-4,7-8,14-15,18H2,1-2H3