N-[3-[3-cyanopropoxy(phenyl)methyl]sulfanyl-4-phenyl-1H-pyrazol-5-yl]-3-ethyl-5-nitro-benzenesulfonamide

Systemtic Name: N-[3-[3-cyanopropoxy(phenyl)methyl]sulfanyl-4-phenyl-1H-pyrazol-5-yl]-3-ethyl-5-nitro-benzenesulfonamide Openeye Name: N-[3-[3-cyanopropoxy(phenyl)methyl]sulfanyl-4-phenyl-1H-pyrazol-5-yl]-3-ethyl-5-nitro-benzenesulfonamide CAS Name: N-[3-[[3-cyanopropoxy(phenyl)methyl]thio]-4-phenyl-1H-pyrazol-5-yl]-3-ethyl-5-nitrobenzenesulfonamide IUPAC Name: N-[3-[3-cyanopropoxy(phenyl)methyl]sulfanyl-4-phenyl-1H-pyrazol-5-yl]-3-ethyl-5-nitrobenzenesulfonamide Traditional Name: N-[3-[[3-cyanopropoxy(phenyl)methyl]thio]-4-phenyl-1H-pyrazol-5-yl]-3-ethyl-5-nitro-benzenesulfonamide Formula: C28H27N5O5S2 MolecularWeight: 577.67448

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1)S(=O)(=O)NC2=C(C(=NN2)SC(C3=CC=CC=C3)OCCCC#N)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC(=CC(=C1)S(=O)(=O)NC2=C(C(=NN2)SC(C3=CC=CC=C3)OCCCC#N)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C28H27N5O5S2/c1-2-20-17-23(33(34)35)19-24(18-20)40(36,37)32-26-25(21-11-5-3-6-12-21)27(31-30-26)39-28(38-16-10-9-15-29)22-13-7-4-8-14-22/h3-8,11-14,17-19,28H,2,9-10,16H2,1H3,(H2,30,31,32)