(2-oxidanylideneazepan-3-yl) 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxy-benzoate

Systemtic Name: (2-oxidanylideneazepan-3-yl) 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxy-benzoate Openeye Name: (2-oxoazepan-3-yl) 5-indolin-1-ylsulfonyl-2-methoxy-benzoate CAS Name: 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzoic acid (2-oxo-3-azepanyl) ester IUPAC Name: (2-oxoazepan-3-yl) 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzoate Traditional Name: 5-indolin-1-ylsulfonyl-2-methoxy-benzoic acid (2-ketoazepan-3-yl) ester Formula: C22H24N2O6S MolecularWeight: 444.50076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C32)C(=O)OC4CCCCNC4=O

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C32)C(=O)OC4CCCCNC4=O

InChI

InChI=1S/C22H24N2O6S/c1-29-19-10-9-16(31(27,28)24-13-11-15-6-2-3-7-18(15)24)14-17(19)22(26)30-20-8-4-5-12-23-21(20)25/h2-3,6-7,9-10,14,20H,4-5,8,11-13H2,1H3,(H,23,25)