phenyl [[5-methyl-3-oxidanylidene-1-phenyl-2-(phenylmethyl)hexyl]amino]-oxidanylidene-methanesulfonate

Systemtic Name: phenyl [[5-methyl-3-oxidanylidene-1-phenyl-2-(phenylmethyl)hexyl]amino]-oxidanylidene-methanesulfonate Openeye Name: phenyl [(2-benzyl-5-methyl-3-oxo-1-phenyl-hexyl)amino]-oxo-methanesulfonate CAS Name: [[5-methyl-3-oxo-1-phenyl-2-(phenylmethyl)hexyl]amino]-oxomethanesulfonic acid phenyl ester IUPAC Name: phenyl [(2-benzyl-5-methyl-3-oxo-1-phenylhexyl)amino]-oxomethanesulfonate Traditional Name: [(2-benzyl-3-keto-5-methyl-1-phenyl-hexyl)amino]-keto-methanesulfonic acid phenyl ester Formula: C27H29NO5S MolecularWeight: 479.58786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)C(CC1=CC=CC=C1)C(C2=CC=CC=C2)NC(=O)S(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

CC(C)CC(=O)C(CC1=CC=CC=C1)C(C2=CC=CC=C2)NC(=O)S(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C27H29NO5S/c1-20(2)18-25(29)24(19-21-12-6-3-7-13-21)26(22-14-8-4-9-15-22)28-27(30)34(31,32)33-23-16-10-5-11-17-23/h3-17,20,24,26H,18-19H2,1-2H3,(H,28,30)