N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(3,4-dimethoxyphenyl)methanimine

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(3,4-dimethoxyphenyl)methanimine Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(3,4-dimethoxyphenyl)methanimine CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-1-(3,4-dimethoxyphenyl)methanimine IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(3,4-dimethoxyphenyl)methanimine Traditional Name: [4-(azepan-1-ylsulfonyl)phenyl]-veratrylidene-amine Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C=NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)OC

InChI

InChI=1S/C21H26N2O4S/c1-26-20-12-7-17(15-21(20)27-2)16-22-18-8-10-19(11-9-18)28(24,25)23-13-5-3-4-6-14-23/h7-12,15-16H,3-6,13-14H2,1-2H3