4-(dihexylamino)-N-ethyl-N-(4-methylphenyl)sulfanyl-3,5-dinitro-benzenesulfonamide

Systemtic Name: 4-(dihexylamino)-N-ethyl-N-(4-methylphenyl)sulfanyl-3,5-dinitro-benzenesulfonamide Openeye Name: 4-(dihexylamino)-N-ethyl-3,5-dinitro-N-(p-tolylsulfanyl)benzenesulfonamide CAS Name: 4-(dihexylamino)-N-ethyl-N-[(4-methylphenyl)thio]-3,5-dinitrobenzenesulfonamide IUPAC Name: 4-(dihexylamino)-N-ethyl-N-(4-methylphenyl)sulfanyl-3,5-dinitrobenzenesulfonamide Traditional Name: 4-(dihexylamino)-N-ethyl-3,5-dinitro-N-(p-tolylthio)benzenesulfonamide Formula: C27H40N4O6S2 MolecularWeight: 580.7597

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(CCCCCC)C1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)N(CC)SC2=CC=C(C=C2)C)[N+](=O)[O-]

Isomeric SMILES

CCCCCCN(CCCCCC)C1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)N(CC)SC2=CC=C(C=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C27H40N4O6S2/c1-5-8-10-12-18-28(19-13-11-9-6-2)27-25(30(32)33)20-24(21-26(27)31(34)35)39(36,37)29(7-3)38-23-16-14-22(4)15-17-23/h14-17,20-21H,5-13,18-19H2,1-4H3