N-[4-bromanyl-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]quinoline-8-sulfonamide

Systemtic Name: N-[4-bromanyl-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]quinoline-8-sulfonamide Openeye Name: N-[4-bromo-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]quinoline-8-sulfonamide CAS Name: N-[4-bromo-1-[(3,4-dichlorophenyl)methyl]-3-pyrazolyl]-8-quinolinesulfonamide IUPAC Name: N-[4-bromo-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]quinoline-8-sulfonamide Traditional Name: N-[4-bromo-1-(3,4-dichlorobenzyl)pyrazol-3-yl]quinoline-8-sulfonamide Formula: C19H13BrCl2N4O2S MolecularWeight: 512.20712

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)S(=O)(=O)NC3=NN(C=C3Br)CC4=CC(=C(C=C4)Cl)Cl)N=CC=C2

Isomeric SMILES

C1=CC2=C(C(=C1)S(=O)(=O)NC3=NN(C=C3Br)CC4=CC(=C(C=C4)Cl)Cl)N=CC=C2

InChI

InChI=1S/C19H13BrCl2N4O2S/c20-14-11-26(10-12-6-7-15(21)16(22)9-12)24-19(14)25-29(27,28)17-5-1-3-13-4-2-8-23-18(13)17/h1-9,11H,10H2,(H,24,25)