N-[1-[(4-bromanylphenoxy)methyl]pyrazol-4-yl]-3-(phenylsulfonyl)propanamide

Systemtic Name: N-[1-[(4-bromanylphenoxy)methyl]pyrazol-4-yl]-3-(phenylsulfonyl)propanamide Openeye Name: 3-(benzenesulfonyl)-N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]propanamide CAS Name: 3-(benzenesulfonyl)-N-[1-[(4-bromophenoxy)methyl]-4-pyrazolyl]propanamide IUPAC Name: 3-(benzenesulfonyl)-N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]propanamide Traditional Name: 3-besyl-N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]propionamide Formula: C19H18BrN3O4S MolecularWeight: 464.33292

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC2=CN(N=C2)COC3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC2=CN(N=C2)COC3=CC=C(C=C3)Br

InChI

InChI=1S/C19H18BrN3O4S/c20-15-6-8-17(9-7-15)27-14-23-13-16(12-21-23)22-19(24)10-11-28(25,26)18-4-2-1-3-5-18/h1-9,12-13H,10-11,14H2,(H,22,24)