butyl 4-[[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]sulfonylamino]benzoate

Systemtic Name: butyl 4-[[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]sulfonylamino]benzoate Openeye Name: butyl 4-[[1-benzyl-3-(2-thienyl)pyrazol-4-yl]sulfonylamino]benzoate CAS Name: 4-[[1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolyl]sulfonylamino]benzoic acid butyl ester IUPAC Name: butyl 4-[(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)sulfonylamino]benzoate Traditional Name: 4-[[1-benzyl-3-(2-thienyl)pyrazol-4-yl]sulfonylamino]benzoic acid butyl ester Formula: C25H25N3O4S2 MolecularWeight: 495.6137

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CN(N=C2C3=CC=CS3)CC4=CC=CC=C4

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CN(N=C2C3=CC=CS3)CC4=CC=CC=C4

InChI

InChI=1S/C25H25N3O4S2/c1-2-3-15-32-25(29)20-11-13-21(14-12-20)27-34(30,31)23-18-28(17-19-8-5-4-6-9-19)26-24(23)22-10-7-16-33-22/h4-14,16,18,27H,2-3,15,17H2,1H3