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

Systemtic Name: N-[4-bromanyl-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-nitro-benzenesulfonamide Openeye Name: N-[4-bromo-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-nitro-benzenesulfonamide CAS Name: N-[4-bromo-1-[(3,4-dichlorophenyl)methyl]-3-pyrazolyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[4-bromo-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-nitrobenzenesulfonamide Traditional Name: N-[4-bromo-1-(3,4-dichlorobenzyl)pyrazol-3-yl]-3-nitro-benzenesulfonamide Formula: C16H11BrCl2N4O4S MolecularWeight: 506.15794

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)NC2=NN(C=C2Br)CC3=CC(=C(C=C3)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)NC2=NN(C=C2Br)CC3=CC(=C(C=C3)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H11BrCl2N4O4S/c17-13-9-22(8-10-4-5-14(18)15(19)6-10)20-16(13)21-28(26,27)12-3-1-2-11(7-12)23(24)25/h1-7,9H,8H2,(H,20,21)