4-[(3,5-dinitrophenyl)-[(2S)-undec-3-yn-2-yl]amino]benzenesulfonamide

Systemtic Name: 4-[(3,5-dinitrophenyl)-[(2S)-undec-3-yn-2-yl]amino]benzenesulfonamide Openeye Name: 4-(N-[(1S)-1-methyldec-2-ynyl]-3,5-dinitro-anilino)benzenesulfonamide CAS Name: 4-(3,5-dinitro-N-[(2S)-undec-3-yn-2-yl]anilino)benzenesulfonamide IUPAC Name: 4-(3,5-dinitro-N-[(2S)-undec-3-yn-2-yl]anilino)benzenesulfonamide Traditional Name: 4-(N-[(1S)-1-methyldec-2-ynyl]-3,5-dinitro-anilino)benzenesulfonamide Formula: C23H28N4O6S MolecularWeight: 488.55662

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC#CC(C)N(C1=CC=C(C=C1)S(=O)(=O)N)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCCCCC#C[C@H](C)N(C1=CC=C(C=C1)S(=O)(=O)N)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C23H28N4O6S/c1-3-4-5-6-7-8-9-10-18(2)25(19-11-13-23(14-12-19)34(24,32)33)20-15-21(26(28)29)17-22(16-20)27(30)31/h11-18H,3-8H2,1-2H3,(H2,24,32,33)/t18-/m0/s1