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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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