N-[4-chloranyl-1-(phenylmethyl)pyrazol-3-yl]-4-nitro-benzenesulfonamide

Systemtic Name: N-[4-chloranyl-1-(phenylmethyl)pyrazol-3-yl]-4-nitro-benzenesulfonamide Openeye Name: N-(1-benzyl-4-chloro-pyrazol-3-yl)-4-nitro-benzenesulfonamide CAS Name: N-[4-chloro-1-(phenylmethyl)-3-pyrazolyl]-4-nitrobenzenesulfonamide IUPAC Name: N-(1-benzyl-4-chloropyrazol-3-yl)-4-nitrobenzenesulfonamide Traditional Name: N-(1-benzyl-4-chloro-pyrazol-3-yl)-4-nitro-benzenesulfonamide Formula: C16H13ClN4O4S MolecularWeight: 392.81682

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C(=N2)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C(=N2)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H13ClN4O4S/c17-15-11-20(10-12-4-2-1-3-5-12)18-16(15)19-26(24,25)14-8-6-13(7-9-14)21(22)23/h1-9,11H,10H2,(H,18,19)