4-methylbenzenesulfonic acid; (E)-2-[4-methylpentanoyl-[methylsulfonyl(pyridin-4-ylmethyl)amino]amino]-N-oxidanyl-5-phenyl-pent-4-enamide

Systemtic Name: 4-methylbenzenesulfonic acid; (E)-2-[4-methylpentanoyl-[methylsulfonyl(pyridin-4-ylmethyl)amino]amino]-N-oxidanyl-5-phenyl-pent-4-enamide Openeye Name: 4-methylbenzenesulfonic acid; (E)-2-[4-methylpentanoyl-[methylsulfonyl(4-pyridylmethyl)amino]amino]-5-phenyl-pent-4-enehydroxamic acid CAS Name: (E)-N-hydroxy-2-[(4-methyl-1-oxopentyl)-[methylsulfonyl(pyridin-4-ylmethyl)amino]amino]-5-phenyl-4-pentenamide; 4-methylbenzenesulfonic acid IUPAC Name: (E)-N-hydroxy-2-[4-methylpentanoyl-[methylsulfonyl(pyridin-4-ylmethyl)amino]amino]-5-phenylpent-4-enamide; 4-methylbenzenesulfonic acid Traditional Name: (E)-2-[[mesyl(4-pyridylmethyl)amino]-(4-methylpentanoyl)amino]-5-phenyl-pent-4-enehydroxamic acid; tosylic acid Formula: C31H40N4O8S2 MolecularWeight: 660.8013

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)CCC(=O)N(C(CC=CC1=CC=CC=C1)C(=O)NO)N(CC2=CC=NC=C2)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)CCC(=O)N(C(C/C=C/C1=CC=CC=C1)C(=O)NO)N(CC2=CC=NC=C2)S(=O)(=O)C

InChI

InChI=1S/C24H32N4O5S.C7H8O3S/c1-19(2)12-13-23(29)28(27(34(3,32)33)18-21-14-16-25-17-15-21)22(24(30)26-31)11-7-10-20-8-5-4-6-9-20;1-6-2-4-7(5-3-6)11(8,9)10/h4-10,14-17,19,22,31H,11-13,18H2,1-3H3,(H,26,30);2-5H,1H3,(H,8,9,10)/b10-7+;