5-methylsulfonyl-N-(4-phenylmethoxyphenyl)-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide

Systemtic Name: 5-methylsulfonyl-N-(4-phenylmethoxyphenyl)-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Openeye Name: N-(4-benzyloxyphenyl)-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide CAS Name: 5-methylsulfonyl-N-(4-phenylmethoxyphenyl)-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide IUPAC Name: 5-methylsulfonyl-N-(4-phenylmethoxyphenyl)-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Traditional Name: N-(4-benzoxyphenyl)-5-mesyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Formula: C24H24N2O5S MolecularWeight: 452.52276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(OC2=CC=CC=C21)C(=O)NC3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)N1CCC(OC2=CC=CC=C21)C(=O)NC3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C24H24N2O5S/c1-32(28,29)26-16-15-23(31-22-10-6-5-9-21(22)26)24(27)25-19-11-13-20(14-12-19)30-17-18-7-3-2-4-8-18/h2-14,23H,15-17H2,1H3,(H,25,27)