N-[3-(azepan-1-ylsulfonyl)phenyl]-3-methoxy-4-prop-2-enoxy-benzamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-3-methoxy-4-prop-2-enoxy-benzamide Openeye Name: 4-allyloxy-N-[3-(azepan-1-ylsulfonyl)phenyl]-3-methoxy-benzamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-3-methoxy-4-prop-2-enoxybenzamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-3-methoxy-4-prop-2-enoxybenzamide Traditional Name: 4-allyloxy-N-[3-(azepan-1-ylsulfonyl)phenyl]-3-methoxy-benzamide Formula: C23H28N2O5S MolecularWeight: 444.54382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O5S/c1-3-15-30-21-12-11-18(16-22(21)29-2)23(26)24-19-9-8-10-20(17-19)31(27,28)25-13-6-4-5-7-14-25/h3,8-12,16-17H,1,4-7,13-15H2,2H3,(H,24,26)