4-[[3-[2-(4-tert-butylphenyl)carbonylhydrazinyl]-3-oxidanylidene-propyl]amino]-3-nitro-benzenesulfonamide

Systemtic Name: 4-[[3-[2-(4-tert-butylphenyl)carbonylhydrazinyl]-3-oxidanylidene-propyl]amino]-3-nitro-benzenesulfonamide Openeye Name: 4-[[3-[2-(4-tert-butylbenzoyl)hydrazino]-3-oxo-propyl]amino]-3-nitro-benzenesulfonamide CAS Name: 4-[[3-[[(4-tert-butylphenyl)-oxomethyl]hydrazo]-3-oxopropyl]amino]-3-nitrobenzenesulfonamide IUPAC Name: 4-[[3-[2-(4-tert-butylbenzoyl)hydrazinyl]-3-oxopropyl]amino]-3-nitrobenzenesulfonamide Traditional Name: 4-[[3-[N'-(4-tert-butylbenzoyl)hydrazino]-3-keto-propyl]amino]-3-nitro-benzenesulfonamide Formula: C20H25N5O6S MolecularWeight: 463.5074

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NNC(=O)CCNC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NNC(=O)CCNC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C20H25N5O6S/c1-20(2,3)14-6-4-13(5-7-14)19(27)24-23-18(26)10-11-22-16-9-8-15(32(21,30)31)12-17(16)25(28)29/h4-9,12,22H,10-11H2,1-3H3,(H,23,26)(H,24,27)(H2,21,30,31)