oxan-2-yl (Z)-5-[4-methylpentanoyl-[methylsulfonyl(phenyl)amino]amino]-2-phenyl-pent-2-enoate

Systemtic Name: oxan-2-yl (Z)-5-[4-methylpentanoyl-[methylsulfonyl(phenyl)amino]amino]-2-phenyl-pent-2-enoate Openeye Name: tetrahydropyran-2-yl (Z)-5-[4-methylpentanoyl-(N-methylsulfonylanilino)amino]-2-phenyl-pent-2-enoate CAS Name: (Z)-5-[(4-methyl-1-oxopentyl)-(N-methylsulfonylanilino)amino]-2-phenyl-2-pentenoic acid 2-oxanyl ester IUPAC Name: oxan-2-yl (Z)-5-[4-methylpentanoyl-(N-methylsulfonylanilino)amino]-2-phenylpent-2-enoate Traditional Name: (Z)-5-[(N-mesylanilino)-(4-methylpentanoyl)amino]-2-phenyl-pent-2-enoic acid tetrahydropyran-2-yl ester Formula: C29H38N2O6S MolecularWeight: 542.68682

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(=O)N(CCC=C(C1=CC=CC=C1)C(=O)OC2CCCCO2)N(C3=CC=CC=C3)S(=O)(=O)C

Isomeric SMILES

CC(C)CCC(=O)N(CC/C=C(/C1=CC=CC=C1)\C(=O)OC2CCCCO2)N(C3=CC=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C29H38N2O6S/c1-23(2)19-20-27(32)30(31(38(3,34)35)25-15-8-5-9-16-25)21-12-17-26(24-13-6-4-7-14-24)29(33)37-28-18-10-11-22-36-28/h4-9,13-17,23,28H,10-12,18-22H2,1-3H3/b26-17-