[[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-phenyl-methyl] 5-phenylpent-4-yneperoxoate

Systemtic Name: [[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-phenyl-methyl] 5-phenylpent-4-yneperoxoate Openeye Name: [[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-phenyl-methyl] 5-phenylpent-4-yneperoxoate CAS Name: 5-phenyl-4-pentyneperoxoic acid [[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-phenylmethyl] ester IUPAC Name: [[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-phenylmethyl] 5-phenylpent-4-yneperoxoate Traditional Name: 5-phenylpent-4-yneperoxoic acid [[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-phenyl-methyl] ester Formula: C31H27NO6S MolecularWeight: 541.61418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)NC(C3=CC=CC=C3)OOC(=O)CCC#CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)NC(C3=CC=CC=C3)OOC(=O)CCC#CC4=CC=CC=C4

InChI

InChI=1S/C31H27NO6S/c1-36-28-20-16-25(17-21-28)26-18-22-29(23-19-26)39(34,35)32-31(27-13-6-3-7-14-27)38-37-30(33)15-9-8-12-24-10-4-2-5-11-24/h2-7,10-11,13-14,16-23,31-32H,9,15H2,1H3