N-(4-chlorophenyl)-4-(dipropylamino)-3,5-dinitro-benzenesulfonamide

Systemtic Name: N-(4-chlorophenyl)-4-(dipropylamino)-3,5-dinitro-benzenesulfonamide Openeye Name: N-(4-chlorophenyl)-4-(dipropylamino)-3,5-dinitro-benzenesulfonamide CAS Name: N-(4-chlorophenyl)-4-(dipropylamino)-3,5-dinitrobenzenesulfonamide IUPAC Name: N-(4-chlorophenyl)-4-(dipropylamino)-3,5-dinitrobenzenesulfonamide Traditional Name: N-(4-chlorophenyl)-4-(dipropylamino)-3,5-dinitro-benzenesulfonamide Formula: C18H21ClN4O6S MolecularWeight: 456.90054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)NC2=CC=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCN(CCC)C1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)NC2=CC=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H21ClN4O6S/c1-3-9-21(10-4-2)18-16(22(24)25)11-15(12-17(18)23(26)27)30(28,29)20-14-7-5-13(19)6-8-14/h5-8,11-12,20H,3-4,9-10H2,1-2H3