(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methyl 2-chloranyl-5-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: (1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methyl 2-chloranyl-5-morpholin-4-ylsulfonyl-benzoate Openeye Name: [1-phenyl-3-(2-thienyl)pyrazol-4-yl]methyl 2-chloro-5-morpholinosulfonyl-benzoate CAS Name: 2-chloro-5-(4-morpholinylsulfonyl)benzoic acid (1-phenyl-3-thiophen-2-yl-4-pyrazolyl)methyl ester IUPAC Name: (1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate Traditional Name: 2-chloro-5-morpholinosulfonyl-benzoic acid [1-phenyl-3-(2-thienyl)pyrazol-4-yl]methyl ester Formula: C25H22ClN3O5S2 MolecularWeight: 544.04228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)OCC3=CN(N=C3C4=CC=CS4)C5=CC=CC=C5

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)OCC3=CN(N=C3C4=CC=CS4)C5=CC=CC=C5

InChI

InChI=1S/C25H22ClN3O5S2/c26-22-9-8-20(36(31,32)28-10-12-33-13-11-28)15-21(22)25(30)34-17-18-16-29(19-5-2-1-3-6-19)27-24(18)23-7-4-14-35-23/h1-9,14-16H,10-13,17H2