methyl 6-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)sulfonylamino]-2-[(4-methylphenyl)sulfonylamino]hexanoate

Systemtic Name: methyl 6-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)sulfonylamino]-2-[(4-methylphenyl)sulfonylamino]hexanoate Openeye Name: methyl 6-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)sulfonylamino]-2-(p-tolylsulfonylamino)hexanoate CAS Name: 6-[(5-chloro-1,3-dimethyl-4-pyrazolyl)sulfonylamino]-2-[(4-methylphenyl)sulfonylamino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylamino]-2-[(4-methylphenyl)sulfonylamino]hexanoate Traditional Name: 6-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)sulfonylamino]-2-(tosylamino)hexanoic acid methyl ester Formula: C19H27ClN4O6S2 MolecularWeight: 507.02388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CCCCNS(=O)(=O)C2=C(N(N=C2C)C)Cl)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CCCCNS(=O)(=O)C2=C(N(N=C2C)C)Cl)C(=O)OC

InChI

InChI=1S/C19H27ClN4O6S2/c1-13-8-10-15(11-9-13)31(26,27)23-16(19(25)30-4)7-5-6-12-21-32(28,29)17-14(2)22-24(3)18(17)20/h8-11,16,21,23H,5-7,12H2,1-4H3