N-[(1R,2R)-2-(4-hydroxyphenyl)sulfanylcyclohexyl]-3,5-dinitro-benzamide

Systemtic Name: N-[(1R,2R)-2-(4-hydroxyphenyl)sulfanylcyclohexyl]-3,5-dinitro-benzamide Openeye Name: N-[(1R,2R)-2-(4-hydroxyphenyl)sulfanylcyclohexyl]-3,5-dinitro-benzamide CAS Name: N-[(1R,2R)-2-[(4-hydroxyphenyl)thio]cyclohexyl]-3,5-dinitrobenzamide IUPAC Name: N-[(1R,2R)-2-(4-hydroxyphenyl)sulfanylcyclohexyl]-3,5-dinitrobenzamide Traditional Name: N-[(1R,2R)-2-[(4-hydroxyphenyl)thio]cyclohexyl]-3,5-dinitro-benzamide Formula: C19H19N3O6S MolecularWeight: 417.43566

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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=C(C=C3)O

Isomeric SMILES

C1CC[C@H]([C@@H](C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])SC3=CC=C(C=C3)O

InChI

InChI=1S/C19H19N3O6S/c23-15-5-7-16(8-6-15)29-18-4-2-1-3-17(18)20-19(24)12-9-13(21(25)26)11-14(10-12)22(27)28/h5-11,17-18,23H,1-4H2,(H,20,24)/t17-,18-/m1/s1