4-butan-2-yl-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]benzenesulfonamide

Systemtic Name: 4-butan-2-yl-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]benzenesulfonamide Openeye Name: N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-4-sec-butyl-benzenesulfonamide CAS Name: 4-butan-2-yl-N-[1-[(3-methoxyphenyl)methyl]-4-pyrazolyl]benzenesulfonamide IUPAC Name: 4-butan-2-yl-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]benzenesulfonamide Traditional Name: N-(1-m-anisylpyrazol-4-yl)-4-sec-butyl-benzenesulfonamide Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)S(=O)(=O)NC2=CN(N=C2)CC3=CC(=CC=C3)OC

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)S(=O)(=O)NC2=CN(N=C2)CC3=CC(=CC=C3)OC

InChI

InChI=1S/C21H25N3O3S/c1-4-16(2)18-8-10-21(11-9-18)28(25,26)23-19-13-22-24(15-19)14-17-6-5-7-20(12-17)27-3/h5-13,15-16,23H,4,14H2,1-3H3