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

Systemtic Name: butyl 4-[(1-propan-2-yl-3-thiophen-2-yl-pyrazol-4-yl)sulfonylamino]benzoate Openeye Name: butyl 4-[[1-isopropyl-3-(2-thienyl)pyrazol-4-yl]sulfonylamino]benzoate CAS Name: 4-[(1-propan-2-yl-3-thiophen-2-yl-4-pyrazolyl)sulfonylamino]benzoic acid butyl ester IUPAC Name: butyl 4-[(1-propan-2-yl-3-thiophen-2-ylpyrazol-4-yl)sulfonylamino]benzoate Traditional Name: 4-[[1-isopropyl-3-(2-thienyl)pyrazol-4-yl]sulfonylamino]benzoic acid butyl ester Formula: C21H25N3O4S2 MolecularWeight: 447.5709

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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)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O4S2/c1-4-5-12-28-21(25)16-8-10-17(11-9-16)23-30(26,27)19-14-24(15(2)3)22-20(19)18-7-6-13-29-18/h6-11,13-15,23H,4-5,12H2,1-3H3