3-chloranyl-6-[(4-chlorophenyl)sulfonylamino]-N-nitro-5-phenyl-6-propyl-3-sulfanyl-cyclohexa-1,4-diene-1-carboxamide

Systemtic Name: 3-chloranyl-6-[(4-chlorophenyl)sulfonylamino]-N-nitro-5-phenyl-6-propyl-3-sulfanyl-cyclohexa-1,4-diene-1-carboxamide Openeye Name: 3-chloro-6-[(4-chlorophenyl)sulfonylamino]-N-nitro-5-phenyl-6-propyl-3-sulfanyl-cyclohexa-1,4-diene-1-carboxamide CAS Name: 3-chloro-6-[(4-chlorophenyl)sulfonylamino]-3-mercapto-N-nitro-5-phenyl-6-propyl-1-cyclohexa-1,4-dienecarboxamide IUPAC Name: 3-chloro-6-[(4-chlorophenyl)sulfonylamino]-N-nitro-5-phenyl-6-propyl-3-sulfanylcyclohexa-1,4-diene-1-carboxamide Traditional Name: 3-chloro-6-[(4-chlorophenyl)sulfonylamino]-3-mercapto-N-nitro-5-phenyl-6-propyl-cyclohexa-1,4-diene-1-carboxamide Formula: C22H21Cl2N3O5S2 MolecularWeight: 542.45524

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(C(=CC(C=C1C(=O)N[N+](=O)[O-])(S)Cl)C2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCCC1(C(=CC(C=C1C(=O)N[N+](=O)[O-])(S)Cl)C2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H21Cl2N3O5S2/c1-2-12-22(26-34(31,32)17-10-8-16(23)9-11-17)18(15-6-4-3-5-7-15)13-21(24,33)14-19(22)20(28)25-27(29)30/h3-11,13-14,26,33H,2,12H2,1H3,(H,25,28)