[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate

Systemtic Name: [2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate Openeye Name: [2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl] 3-(azepan-1-ylsulfonyl)-4-chloro-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-chlorobenzoic acid [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 3-(azepan-1-ylsulfonyl)-4-chlorobenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-benzoic acid [2-(1,3-benzodioxol-5-yl)-2-keto-ethyl] ester Formula: C22H22ClNO7S MolecularWeight: 479.93058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22ClNO7S/c23-17-7-5-16(12-21(17)32(27,28)24-9-3-1-2-4-10-24)22(26)29-13-18(25)15-6-8-19-20(11-15)31-14-30-19/h5-8,11-12H,1-4,9-10,13-14H2