N-[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]-1-(2,4,5-trimethoxyphenyl)methanimine

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]-1-(2,4,5-trimethoxyphenyl)methanimine Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-1-(2,4,5-trimethoxyphenyl)methanimine CAS Name: N-[5-(1-azepanylsulfonyl)-2-chlorophenyl]-1-(2,4,5-trimethoxyphenyl)methanimine IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-chlorophenyl]-1-(2,4,5-trimethoxyphenyl)methanimine Traditional Name: [5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-(2,4,5-trimethoxybenzylidene)amine Formula: C22H27ClN2O5S MolecularWeight: 466.97818

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C=NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)Cl)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C=NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)Cl)OC)OC

InChI

InChI=1S/C22H27ClN2O5S/c1-28-20-14-22(30-3)21(29-2)12-16(20)15-24-19-13-17(8-9-18(19)23)31(26,27)25-10-6-4-5-7-11-25/h8-9,12-15H,4-7,10-11H2,1-3H3