N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-4-nitro-benzenesulfonamide

Systemtic Name: N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-4-nitro-benzenesulfonamide Openeye Name: N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-4-nitro-benzenesulfonamide CAS Name: N-[1-[(4-ethylphenoxy)methyl]-4-pyrazolyl]-4-nitrobenzenesulfonamide IUPAC Name: N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-4-nitrobenzenesulfonamide Traditional Name: N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-4-nitro-benzenesulfonamide Formula: C18H18N4O5S MolecularWeight: 402.42432

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCN2C=C(C=N2)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)OCN2C=C(C=N2)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O5S/c1-2-14-3-7-17(8-4-14)27-13-21-12-15(11-19-21)20-28(25,26)18-9-5-16(6-10-18)22(23)24/h3-12,20H,2,13H2,1H3