N-methylsulfonyl-N-[(5-oxidanyl-2,3,4,5-tetrahydro-1-benzoxepin-4-yl)-(quinolin-2-ylmethoxy)methyl]benzamide

Systemtic Name: N-methylsulfonyl-N-[(5-oxidanyl-2,3,4,5-tetrahydro-1-benzoxepin-4-yl)-(quinolin-2-ylmethoxy)methyl]benzamide Openeye Name: N-[(5-hydroxy-2,3,4,5-tetrahydro-1-benzoxepin-4-yl)-(2-quinolylmethoxy)methyl]-N-methylsulfonyl-benzamide CAS Name: N-[(5-hydroxy-2,3,4,5-tetrahydro-1-benzoxepin-4-yl)-(2-quinolinylmethoxy)methyl]-N-methylsulfonylbenzamide IUPAC Name: N-[(5-hydroxy-2,3,4,5-tetrahydro-1-benzoxepin-4-yl)-(quinolin-2-ylmethoxy)methyl]-N-methylsulfonylbenzamide Traditional Name: N-[(5-hydroxy-2,3,4,5-tetrahydro-1-benzoxepin-4-yl)-(2-quinolylmethoxy)methyl]-N-mesyl-benzamide Formula: C29H28N2O6S MolecularWeight: 532.60742

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(C(C1CCOC2=CC=CC=C2C1O)OCC3=NC4=CC=CC=C4C=C3)C(=O)C5=CC=CC=C5

Isomeric SMILES

CS(=O)(=O)N(C(C1CCOC2=CC=CC=C2C1O)OCC3=NC4=CC=CC=C4C=C3)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C29H28N2O6S/c1-38(34,35)31(28(33)21-10-3-2-4-11-21)29(24-17-18-36-26-14-8-6-12-23(26)27(24)32)37-19-22-16-15-20-9-5-7-13-25(20)30-22/h2-16,24,27,29,32H,17-19H2,1H3