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

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

Systemtic Name:3,5-dinitro-N-[(1R,2R)-2-phenylsulfanylcyclohexyl]benzamide
Openeye Name:3,5-dinitro-N-[(1R,2R)-2-phenylsulfanylcyclohexyl]benzamide
CAS Name:3,5-dinitro-N-[(1R,2R)-2-(phenylthio)cyclohexyl]benzamide
IUPAC Name:3,5-dinitro-N-[(1R,2R)-2-phenylsulfanylcyclohexyl]benzamide
Traditional Name:3,5-dinitro-N-[(1R,2R)-2-(phenylthio)cyclohexyl]benzamide
Formula: C19H19N3O5S
MolecularWeight: 401.43626
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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=C3


Isomeric SMILES

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


InChI

InChI=1S/C19H19N3O5S/c23-19(13-10-14(21(24)25)12-15(11-13)22(26)27)20-17-8-4-5-9-18(17)28-16-6-2-1-3-7-16/h1-3,6-7,10-12,17-18H,4-5,8-9H2,(H,20,23)/t17-,18-/m1/s1


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