N-[(1R,2R)-2-(2-chlorophenyl)sulfanylcyclohexyl]-3,5-dinitro-benzamide

Systemtic Name: N-[(1R,2R)-2-(2-chlorophenyl)sulfanylcyclohexyl]-3,5-dinitro-benzamide Openeye Name: N-[(1R,2R)-2-(2-chlorophenyl)sulfanylcyclohexyl]-3,5-dinitro-benzamide CAS Name: N-[(1R,2R)-2-[(2-chlorophenyl)thio]cyclohexyl]-3,5-dinitrobenzamide IUPAC Name: N-[(1R,2R)-2-(2-chlorophenyl)sulfanylcyclohexyl]-3,5-dinitrobenzamide Traditional Name: N-[(1R,2R)-2-[(2-chlorophenyl)thio]cyclohexyl]-3,5-dinitro-benzamide Formula: C19H18ClN3O5S MolecularWeight: 435.88132

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])SC3=CC=CC=C3Cl

Isomeric SMILES

C1CC[C@H]([C@@H](C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])SC3=CC=CC=C3Cl

InChI

InChI=1S/C19H18ClN3O5S/c20-15-5-1-3-7-17(15)29-18-8-4-2-6-16(18)21-19(24)12-9-13(22(25)26)11-14(10-12)23(27)28/h1,3,5,7,9-11,16,18H,2,4,6,8H2,(H,21,24)/t16-,18-/m1/s1