ethyl 5-chloranylsulfonyl-1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: ethyl 5-chloranylsulfonyl-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: ethyl 1-benzyl-5-chlorosulfonyl-pyrazole-4-carboxylate CAS Name: 5-chlorosulfonyl-1-(phenylmethyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-5-chlorosulfonylpyrazole-4-carboxylate Traditional Name: 1-benzyl-5-chlorosulfonyl-pyrazole-4-carboxylic acid ethyl ester Formula: C13H13ClN2O4S MolecularWeight: 328.77132

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)CC2=CC=CC=C2)S(=O)(=O)Cl

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)CC2=CC=CC=C2)S(=O)(=O)Cl

InChI

InChI=1S/C13H13ClN2O4S/c1-2-20-13(17)11-8-15-16(12(11)21(14,18)19)9-10-6-4-3-5-7-10/h3-8H,2,9H2,1H3