N-[4-chloranyl-3-[[2-(2-nitrophenyl)-3-oxidanylidene-1H-pyrazol-5-yl]amino]phenyl]dodecane-1-sulfonamide

Systemtic Name: N-[4-chloranyl-3-[[2-(2-nitrophenyl)-3-oxidanylidene-1H-pyrazol-5-yl]amino]phenyl]dodecane-1-sulfonamide Openeye Name: N-[4-chloro-3-[[2-(2-nitrophenyl)-3-oxo-1H-pyrazol-5-yl]amino]phenyl]dodecane-1-sulfonamide CAS Name: N-[4-chloro-3-[[2-(2-nitrophenyl)-3-oxo-1H-pyrazol-5-yl]amino]phenyl]-1-dodecanesulfonamide IUPAC Name: N-[4-chloro-3-[[2-(2-nitrophenyl)-3-oxo-1H-pyrazol-5-yl]amino]phenyl]dodecane-1-sulfonamide Traditional Name: N-[4-chloro-3-[[5-keto-1-(2-nitrophenyl)-3-pyrazolin-3-yl]amino]phenyl]dodecane-1-sulfonamide Formula: C27H36ClN5O5S MolecularWeight: 578.12324

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCS(=O)(=O)NC1=CC(=C(C=C1)Cl)NC2=CC(=O)N(N2)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCS(=O)(=O)NC1=CC(=C(C=C1)Cl)NC2=CC(=O)N(N2)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C27H36ClN5O5S/c1-2-3-4-5-6-7-8-9-10-13-18-39(37,38)31-21-16-17-22(28)23(19-21)29-26-20-27(34)32(30-26)24-14-11-12-15-25(24)33(35)36/h11-12,14-17,19-20,29-31H,2-10,13,18H2,1H3