ethyl 2-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)sulfonylamino]-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: ethyl 2-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)sulfonylamino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: ethyl 3-benzylsulfanyl-2-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)sulfonylamino]propanoate CAS Name: 2-[(5-chloro-1,3-dimethyl-4-pyrazolyl)sulfonylamino]-3-(phenylmethylthio)propanoic acid ethyl ester IUPAC Name: ethyl 3-benzylsulfanyl-2-[(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylamino]propanoate Traditional Name: 3-(benzylthio)-2-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)sulfonylamino]propionic acid ethyl ester Formula: C17H22ClN3O4S2 MolecularWeight: 431.95728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CSCC1=CC=CC=C1)NS(=O)(=O)C2=C(N(N=C2C)C)Cl

Isomeric SMILES

CCOC(=O)C(CSCC1=CC=CC=C1)NS(=O)(=O)C2=C(N(N=C2C)C)Cl

InChI

InChI=1S/C17H22ClN3O4S2/c1-4-25-17(22)14(11-26-10-13-8-6-5-7-9-13)20-27(23,24)15-12(2)19-21(3)16(15)18/h5-9,14,20H,4,10-11H2,1-3H3