1-(phenylmethyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)-3-thiophen-2-yl-pyrazole-4-carboxamide

Systemtic Name: 1-(phenylmethyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)-3-thiophen-2-yl-pyrazole-4-carboxamide Openeye Name: 1-benzyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)-3-(2-thienyl)pyrazole-4-carboxamide CAS Name: 1-(phenylmethyl)-N-[4-(1-pyrrolidinylsulfonyl)phenyl]-3-thiophen-2-yl-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)-3-thiophen-2-ylpyrazole-4-carboxamide Traditional Name: 1-benzyl-N-(4-pyrrolidinosulfonylphenyl)-3-(2-thienyl)pyrazole-4-carboxamide Formula: C25H24N4O3S2 MolecularWeight: 492.61306

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CN(N=C3C4=CC=CS4)CC5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CN(N=C3C4=CC=CS4)CC5=CC=CC=C5

InChI

InChI=1S/C25H24N4O3S2/c30-25(26-20-10-12-21(13-11-20)34(31,32)29-14-4-5-15-29)22-18-28(17-19-7-2-1-3-8-19)27-24(22)23-9-6-16-33-23/h1-3,6-13,16,18H,4-5,14-15,17H2,(H,26,30)