phenylmethanesulfonic acid; (phenylmethyl) 2-[cyclohexyl-(2-methyl-3-oxidanylidene-pyridazin-4-yl)carbonyl-amino]ethanoate

Systemtic Name: phenylmethanesulfonic acid; (phenylmethyl) 2-[cyclohexyl-(2-methyl-3-oxidanylidene-pyridazin-4-yl)carbonyl-amino]ethanoate Openeye Name: benzyl 2-[cyclohexyl-(2-methyl-3-oxo-pyridazine-4-carbonyl)amino]acetate; phenylmethanesulfonic acid CAS Name: 2-[cyclohexyl-[(2-methyl-3-oxo-4-pyridazinyl)-oxomethyl]amino]acetic acid (phenylmethyl) ester; phenylmethanesulfonic acid IUPAC Name: benzyl 2-[cyclohexyl-(2-methyl-3-oxopyridazine-4-carbonyl)amino]acetate; phenylmethanesulfonic acid Traditional Name: 2-[cyclohexyl-(3-keto-2-methyl-pyridazine-4-carbonyl)amino]acetic acid benzyl ester; phenylmethanesulfonic acid Formula: C28H33N3O7S MolecularWeight: 555.64252

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=CC=N1)C(=O)N(CC(=O)OCC2=CC=CC=C2)C3CCCCC3.C1=CC=C(C=C1)CS(=O)(=O)O

Isomeric SMILES

CN1C(=O)C(=CC=N1)C(=O)N(CC(=O)OCC2=CC=CC=C2)C3CCCCC3.C1=CC=C(C=C1)CS(=O)(=O)O

InChI

InChI=1S/C21H25N3O4.C7H8O3S/c1-23-20(26)18(12-13-22-23)21(27)24(17-10-6-3-7-11-17)14-19(25)28-15-16-8-4-2-5-9-16;8-11(9,10)6-7-4-2-1-3-5-7/h2,4-5,8-9,12-13,17H,3,6-7,10-11,14-15H2,1H3;1-5H,6H2,(H,8,9,10)