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

Systemtic Name: N-[3-[[2-(2-aminophenyl)-3-oxidanylidene-1H-pyrazol-5-yl]amino]-4-chloranyl-phenyl]dodecane-1-sulfonamide Openeye Name: N-[3-[[2-(2-aminophenyl)-3-oxo-1H-pyrazol-5-yl]amino]-4-chloro-phenyl]dodecane-1-sulfonamide CAS Name: N-[3-[[2-(2-aminophenyl)-3-oxo-1H-pyrazol-5-yl]amino]-4-chlorophenyl]-1-dodecanesulfonamide IUPAC Name: N-[3-[[2-(2-aminophenyl)-3-oxo-1H-pyrazol-5-yl]amino]-4-chlorophenyl]dodecane-1-sulfonamide Traditional Name: N-[3-[[1-(2-aminophenyl)-5-keto-3-pyrazolin-3-yl]amino]-4-chloro-phenyl]dodecane-1-sulfonamide Formula: C27H38ClN5O3S MolecularWeight: 548.14032

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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=C3N

Isomeric SMILES

CCCCCCCCCCCCS(=O)(=O)NC1=CC(=C(C=C1)Cl)NC2=CC(=O)N(N2)C3=CC=CC=C3N

InChI

InChI=1S/C27H38ClN5O3S/c1-2-3-4-5-6-7-8-9-10-13-18-37(35,36)32-21-16-17-22(28)24(19-21)30-26-20-27(34)33(31-26)25-15-12-11-14-23(25)29/h11-12,14-17,19-20,30-32H,2-10,13,18,29H2,1H3