4-(nitromethylsulfonyl)-N,N-dipropyl-benzenesulfonamide

Systemtic Name: 4-(nitromethylsulfonyl)-N,N-dipropyl-benzenesulfonamide Openeye Name: 4-(nitromethylsulfonyl)-N,N-dipropyl-benzenesulfonamide CAS Name: 4-(nitromethylsulfonyl)-N,N-dipropylbenzenesulfonamide IUPAC Name: 4-(nitromethylsulfonyl)-N,N-dipropylbenzenesulfonamide Traditional Name: 4-(nitromethylsulfonyl)-N,N-dipropyl-benzenesulfonamide Formula: C13H20N2O6S2 MolecularWeight: 364.4377

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)C[N+](=O)[O-]

Isomeric SMILES

CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)C[N+](=O)[O-]

InChI

InChI=1S/C13H20N2O6S2/c1-3-9-14(10-4-2)23(20,21)13-7-5-12(6-8-13)22(18,19)11-15(16)17/h5-8H,3-4,9-11H2,1-2H3