4-methoxy-3-nitro-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzenesulfonamide

Systemtic Name: 4-methoxy-3-nitro-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzenesulfonamide Openeye Name: 4-methoxy-3-nitro-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzenesulfonamide CAS Name: 4-methoxy-3-nitro-N-[2-(1-phenyl-4-pyrazolyl)ethyl]benzenesulfonamide IUPAC Name: 4-methoxy-3-nitro-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzenesulfonamide Traditional Name: 4-methoxy-3-nitro-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzenesulfonamide Formula: C18H18N4O5S MolecularWeight: 402.42432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NCCC2=CN(N=C2)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NCCC2=CN(N=C2)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O5S/c1-27-18-8-7-16(11-17(18)22(23)24)28(25,26)20-10-9-14-12-19-21(13-14)15-5-3-2-4-6-15/h2-8,11-13,20H,9-10H2,1H3