3-chloranyl-4-methylsulfonyl-N-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]thiophene-2-carboxamide

Systemtic Name: 3-chloranyl-4-methylsulfonyl-N-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]thiophene-2-carboxamide Openeye Name: N-[1-(2-benzyloxyethyl)pyrazol-4-yl]-3-chloro-4-methylsulfonyl-thiophene-2-carboxamide CAS Name: 3-chloro-4-methylsulfonyl-N-[1-(2-phenylmethoxyethyl)-4-pyrazolyl]-2-thiophenecarboxamide IUPAC Name: 3-chloro-4-methylsulfonyl-N-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]thiophene-2-carboxamide Traditional Name: N-[1-(2-benzoxyethyl)pyrazol-4-yl]-3-chloro-4-mesyl-thiophene-2-carboxamide Formula: C18H18ClN3O4S2 MolecularWeight: 439.93622

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CSC(=C1Cl)C(=O)NC2=CN(N=C2)CCOCC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)C1=CSC(=C1Cl)C(=O)NC2=CN(N=C2)CCOCC3=CC=CC=C3

InChI

InChI=1S/C18H18ClN3O4S2/c1-28(24,25)15-12-27-17(16(15)19)18(23)21-14-9-20-22(10-14)7-8-26-11-13-5-3-2-4-6-13/h2-6,9-10,12H,7-8,11H2,1H3,(H,21,23)