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

Systemtic Name: butyl 4-[[3-methyl-1-(phenylmethyl)pyrazol-4-yl]sulfonylamino]benzoate Openeye Name: butyl 4-[(1-benzyl-3-methyl-pyrazol-4-yl)sulfonylamino]benzoate CAS Name: 4-[[3-methyl-1-(phenylmethyl)-4-pyrazolyl]sulfonylamino]benzoic acid butyl ester IUPAC Name: butyl 4-[(1-benzyl-3-methylpyrazol-4-yl)sulfonylamino]benzoate Traditional Name: 4-[(1-benzyl-3-methyl-pyrazol-4-yl)sulfonylamino]benzoic acid butyl ester Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CN(N=C2C)CC3=CC=CC=C3

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CN(N=C2C)CC3=CC=CC=C3

InChI

InChI=1S/C22H25N3O4S/c1-3-4-14-29-22(26)19-10-12-20(13-11-19)24-30(27,28)21-16-25(23-17(21)2)15-18-8-6-5-7-9-18/h5-13,16,24H,3-4,14-15H2,1-2H3