N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-(2-thienylsulfonyl)piperidine-4-carboxamide CAS Name: N-[2-[(2,4-dichlorophenyl)methyl]-3-pyrazolyl]-1-thiophen-2-ylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-[2-(2,4-dichlorobenzyl)pyrazol-3-yl]-1-(2-thienylsulfonyl)isonipecotamide Formula: C20H20Cl2N4O3S2 MolecularWeight: 499.4338

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC=NN2CC3=C(C=C(C=C3)Cl)Cl)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC=NN2CC3=C(C=C(C=C3)Cl)Cl)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C20H20Cl2N4O3S2/c21-16-4-3-15(17(22)12-16)13-26-18(5-8-23-26)24-20(27)14-6-9-25(10-7-14)31(28,29)19-2-1-11-30-19/h1-5,8,11-12,14H,6-7,9-10,13H2,(H,24,27)