N-[3-[(4-chloranylpyrazol-1-yl)methyl]phenyl]butane-1-sulfonamide

Systemtic Name: N-[3-[(4-chloranylpyrazol-1-yl)methyl]phenyl]butane-1-sulfonamide Openeye Name: N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]butane-1-sulfonamide CAS Name: N-[3-[(4-chloro-1-pyrazolyl)methyl]phenyl]-1-butanesulfonamide IUPAC Name: N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]butane-1-sulfonamide Traditional Name: N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]butane-1-sulfonamide Formula: C14H18ClN3O2S MolecularWeight: 327.82962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC1=CC=CC(=C1)CN2C=C(C=N2)Cl

Isomeric SMILES

CCCCS(=O)(=O)NC1=CC=CC(=C1)CN2C=C(C=N2)Cl

InChI

InChI=1S/C14H18ClN3O2S/c1-2-3-7-21(19,20)17-14-6-4-5-12(8-14)10-18-11-13(15)9-16-18/h4-6,8-9,11,17H,2-3,7,10H2,1H3