N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(1,3-benzodioxol-5-yl)methanimine

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(1,3-benzodioxol-5-yl)methanimine Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(1,3-benzodioxol-5-yl)methanimine CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-1-(1,3-benzodioxol-5-yl)methanimine IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(1,3-benzodioxol-5-yl)methanimine Traditional Name: [4-(azepan-1-ylsulfonyl)phenyl]-piperonylidene-amine Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)N=CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)N=CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H22N2O4S/c23-27(24,22-11-3-1-2-4-12-22)18-8-6-17(7-9-18)21-14-16-5-10-19-20(13-16)26-15-25-19/h5-10,13-14H,1-4,11-12,15H2