N-(4-chlorophenyl)sulfanyl-4-[ethyl(propyl)amino]-N-methyl-3,5-dinitro-benzenesulfonamide

Systemtic Name: N-(4-chlorophenyl)sulfanyl-4-[ethyl(propyl)amino]-N-methyl-3,5-dinitro-benzenesulfonamide Openeye Name: N-(4-chlorophenyl)sulfanyl-4-[ethyl(propyl)amino]-N-methyl-3,5-dinitro-benzenesulfonamide CAS Name: N-[(4-chlorophenyl)thio]-4-[ethyl(propyl)amino]-N-methyl-3,5-dinitrobenzenesulfonamide IUPAC Name: N-(4-chlorophenyl)sulfanyl-4-[ethyl(propyl)amino]-N-methyl-3,5-dinitrobenzenesulfonamide Traditional Name: N-[(4-chlorophenyl)thio]-4-[ethyl(propyl)amino]-N-methyl-3,5-dinitro-benzenesulfonamide Formula: C18H21ClN4O6S2 MolecularWeight: 488.96554

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC)C1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)N(C)SC2=CC=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCN(CC)C1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)N(C)SC2=CC=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H21ClN4O6S2/c1-4-10-21(5-2)18-16(22(24)25)11-15(12-17(18)23(26)27)31(28,29)20(3)30-14-8-6-13(19)7-9-14/h6-9,11-12H,4-5,10H2,1-3H3