4-methylbenzenesulfonic acid; (E)-2-[4-methylpentanoyl(propylamino)amino]-N-(oxan-2-yloxy)-5-phenyl-pent-4-enamide

Systemtic Name: 4-methylbenzenesulfonic acid; (E)-2-[4-methylpentanoyl(propylamino)amino]-N-(oxan-2-yloxy)-5-phenyl-pent-4-enamide Openeye Name: 4-methylbenzenesulfonic acid; (E)-2-[4-methylpentanoyl(propylamino)amino]-5-phenyl-N-tetrahydropyran-2-yloxy-pent-4-enamide CAS Name: 4-methylbenzenesulfonic acid; (E)-2-[(4-methyl-1-oxopentyl)-(propylamino)amino]-N-(2-oxanyloxy)-5-phenyl-4-pentenamide IUPAC Name: 4-methylbenzenesulfonic acid; (E)-2-[4-methylpentanoyl(propylamino)amino]-N-(oxan-2-yloxy)-5-phenylpent-4-enamide Traditional Name: (E)-2-[4-methylpentanoyl(propylamino)amino]-5-phenyl-N-tetrahydropyran-2-yloxy-pent-4-enamide; tosylic acid Formula: C32H47N3O7S MolecularWeight: 617.79648

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Descriptors Computed from Structure

Canonical SMILES:

CCCNN(C(CC=CC1=CC=CC=C1)C(=O)NOC2CCCCO2)C(=O)CCC(C)C.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCCNN(C(C/C=C/C1=CC=CC=C1)C(=O)NOC2CCCCO2)C(=O)CCC(C)C.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C25H39N3O4.C7H8O3S/c1-4-18-26-28(23(29)17-16-20(2)3)22(14-10-13-21-11-6-5-7-12-21)25(30)27-32-24-15-8-9-19-31-24;1-6-2-4-7(5-3-6)11(8,9)10/h5-7,10-13,20,22,24,26H,4,8-9,14-19H2,1-3H3,(H,27,30);2-5H,1H3,(H,8,9,10)/b13-10+;