(phenylmethyl) 2-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)sulfonyl-methyl-amino]ethanoate

Systemtic Name: (phenylmethyl) 2-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)sulfonyl-methyl-amino]ethanoate Openeye Name: benzyl 2-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)sulfonyl-methyl-amino]acetate CAS Name: 2-[(5-chloro-1,3-dimethyl-4-pyrazolyl)sulfonyl-methylamino]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-methylamino]acetate Traditional Name: 2-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)sulfonyl-methyl-amino]acetic acid benzyl ester Formula: C15H18ClN3O4S MolecularWeight: 371.83912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1S(=O)(=O)N(C)CC(=O)OCC2=CC=CC=C2)Cl)C

Isomeric SMILES

CC1=NN(C(=C1S(=O)(=O)N(C)CC(=O)OCC2=CC=CC=C2)Cl)C

InChI

InChI=1S/C15H18ClN3O4S/c1-11-14(15(16)19(3)17-11)24(21,22)18(2)9-13(20)23-10-12-7-5-4-6-8-12/h4-8H,9-10H2,1-3H3