(3-morpholin-4-ylsulfonylphenyl)methyl (E)-3-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)prop-2-enoate

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)methyl (E)-3-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)prop-2-enoate Openeye Name: (3-morpholinosulfonylphenyl)methyl (E)-3-(5-chloro-1,3-dimethyl-pyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-(5-chloro-1,3-dimethyl-4-pyrazolyl)-2-propenoic acid [3-(4-morpholinylsulfonyl)phenyl]methyl ester IUPAC Name: (3-morpholin-4-ylsulfonylphenyl)methyl (E)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(5-chloro-1,3-dimethyl-pyrazol-4-yl)acrylic acid (3-morpholinosulfonylbenzyl) ester Formula: C19H22ClN3O5S MolecularWeight: 439.91308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)OCC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)Cl)C

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)OCC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)Cl)C

InChI

InChI=1S/C19H22ClN3O5S/c1-14-17(19(20)22(2)21-14)6-7-18(24)28-13-15-4-3-5-16(12-15)29(25,26)23-8-10-27-11-9-23/h3-7,12H,8-11,13H2,1-2H3/b7-6+