ethyl 2-[(3-chloranyl-2,5-dimethyl-3,4-dihydropyrazol-4-yl)sulfonylamino]-3-(4-hydroxyphenyl)propanoate

Systemtic Name: ethyl 2-[(3-chloranyl-2,5-dimethyl-3,4-dihydropyrazol-4-yl)sulfonylamino]-3-(4-hydroxyphenyl)propanoate Openeye Name: ethyl 2-[(3-chloro-2,5-dimethyl-3,4-dihydropyrazol-4-yl)sulfonylamino]-3-(4-hydroxyphenyl)propanoate CAS Name: 2-[(3-chloro-2,5-dimethyl-3,4-dihydropyrazol-4-yl)sulfonylamino]-3-(4-hydroxyphenyl)propanoic acid ethyl ester IUPAC Name: ethyl 2-[(3-chloro-2,5-dimethyl-3,4-dihydropyrazol-4-yl)sulfonylamino]-3-(4-hydroxyphenyl)propanoate Traditional Name: 2-[(5-chloro-1,3-dimethyl-2-pyrazolin-4-yl)sulfonylamino]-3-(4-hydroxyphenyl)propionic acid ethyl ester Formula: C16H22ClN3O5S MolecularWeight: 403.88098

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=C(C=C1)O)NS(=O)(=O)C2C(N(N=C2C)C)Cl

Isomeric SMILES

CCOC(=O)C(CC1=CC=C(C=C1)O)NS(=O)(=O)C2C(N(N=C2C)C)Cl

InChI

InChI=1S/C16H22ClN3O5S/c1-4-25-16(22)13(9-11-5-7-12(21)8-6-11)19-26(23,24)14-10(2)18-20(3)15(14)17/h5-8,13-15,19,21H,4,9H2,1-3H3