phenyl [(2-ethanoyl-4-methyl-1-phenyl-pentyl)amino]-oxidanylidene-methanesulfonate

Systemtic Name: phenyl [(2-ethanoyl-4-methyl-1-phenyl-pentyl)amino]-oxidanylidene-methanesulfonate Openeye Name: phenyl [(2-acetyl-4-methyl-1-phenyl-pentyl)amino]-oxo-methanesulfonate CAS Name: [(2-acetyl-4-methyl-1-phenylpentyl)amino]-oxomethanesulfonic acid phenyl ester IUPAC Name: phenyl [(2-acetyl-4-methyl-1-phenylpentyl)amino]-oxomethanesulfonate Traditional Name: [(2-acetyl-4-methyl-1-phenyl-pentyl)amino]-keto-methanesulfonic acid phenyl ester Formula: C21H25NO5S MolecularWeight: 403.4919

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(C1=CC=CC=C1)NC(=O)S(=O)(=O)OC2=CC=CC=C2)C(=O)C

Isomeric SMILES

CC(C)CC(C(C1=CC=CC=C1)NC(=O)S(=O)(=O)OC2=CC=CC=C2)C(=O)C

InChI

InChI=1S/C21H25NO5S/c1-15(2)14-19(16(3)23)20(17-10-6-4-7-11-17)22-21(24)28(25,26)27-18-12-8-5-9-13-18/h4-13,15,19-20H,14H2,1-3H3,(H,22,24)