1,3-benzodioxol-5-yl 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate

Systemtic Name: 1,3-benzodioxol-5-yl 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate Openeye Name: 1,3-benzodioxol-5-yl 3-(azepan-1-ylsulfonyl)-4-chloro-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-chlorobenzoic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 3-(azepan-1-ylsulfonyl)-4-chlorobenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-benzoic acid 1,3-benzodioxol-5-yl ester Formula: C20H20ClNO6S MolecularWeight: 437.8939

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OC3=CC4=C(C=C3)OCO4)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OC3=CC4=C(C=C3)OCO4)Cl

InChI

InChI=1S/C20H20ClNO6S/c21-16-7-5-14(11-19(16)29(24,25)22-9-3-1-2-4-10-22)20(23)28-15-6-8-17-18(12-15)27-13-26-17/h5-8,11-12H,1-4,9-10,13H2