N-[4-bromanyl-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-4-ethoxy-benzenesulfonamide

Systemtic Name: N-[4-bromanyl-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-4-ethoxy-benzenesulfonamide Openeye Name: N-[4-bromo-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-4-ethoxy-benzenesulfonamide CAS Name: N-[4-bromo-1-[(3,4-dichlorophenyl)methyl]-3-pyrazolyl]-4-ethoxybenzenesulfonamide IUPAC Name: N-[4-bromo-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-4-ethoxybenzenesulfonamide Traditional Name: N-[4-bromo-1-(3,4-dichlorobenzyl)pyrazol-3-yl]-4-ethoxy-benzenesulfonamide Formula: C18H16BrCl2N3O3S MolecularWeight: 505.21294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)NC2=NN(C=C2Br)CC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)NC2=NN(C=C2Br)CC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C18H16BrCl2N3O3S/c1-2-27-13-4-6-14(7-5-13)28(25,26)23-18-15(19)11-24(22-18)10-12-3-8-16(20)17(21)9-12/h3-9,11H,2,10H2,1H3,(H,22,23)