7-(4-methylphenyl)-N-[4-[(4-methylphenyl)sulfonylmethyl]phenyl]-2,3-dihydro-1-benzoxepine-4-carboxamide

Systemtic Name: 7-(4-methylphenyl)-N-[4-[(4-methylphenyl)sulfonylmethyl]phenyl]-2,3-dihydro-1-benzoxepine-4-carboxamide Openeye Name: 7-(p-tolyl)-N-[4-(p-tolylsulfonylmethyl)phenyl]-2,3-dihydro-1-benzoxepine-4-carboxamide CAS Name: 7-(4-methylphenyl)-N-[4-[(4-methylphenyl)sulfonylmethyl]phenyl]-2,3-dihydro-1-benzoxepin-4-carboxamide IUPAC Name: 7-(4-methylphenyl)-N-[4-[(4-methylphenyl)sulfonylmethyl]phenyl]-2,3-dihydro-1-benzoxepine-4-carboxamide Traditional Name: 7-(p-tolyl)-N-[4-(tosylmethyl)phenyl]-2,3-dihydro-1-benzoxepin-4-carboxamide Formula: C32H29NO4S MolecularWeight: 523.64196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC3=C(C=C2)OCCC(=C3)C(=O)NC4=CC=C(C=C4)CS(=O)(=O)C5=CC=C(C=C5)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC3=C(C=C2)OCCC(=C3)C(=O)NC4=CC=C(C=C4)CS(=O)(=O)C5=CC=C(C=C5)C

InChI

InChI=1S/C32H29NO4S/c1-22-3-9-25(10-4-22)26-11-16-31-28(19-26)20-27(17-18-37-31)32(34)33-29-12-7-24(8-13-29)21-38(35,36)30-14-5-23(2)6-15-30/h3-16,19-20H,17-18,21H2,1-2H3,(H,33,34)