N-(2,3-dimethylcyclohexyl)-4-(4-fluorophenyl)sulfanyl-3-nitro-benzamide

Systemtic Name: N-(2,3-dimethylcyclohexyl)-4-(4-fluorophenyl)sulfanyl-3-nitro-benzamide Openeye Name: N-(2,3-dimethylcyclohexyl)-4-(4-fluorophenyl)sulfanyl-3-nitro-benzamide CAS Name: N-(2,3-dimethylcyclohexyl)-4-[(4-fluorophenyl)thio]-3-nitrobenzamide IUPAC Name: N-(2,3-dimethylcyclohexyl)-4-(4-fluorophenyl)sulfanyl-3-nitrobenzamide Traditional Name: N-(2,3-dimethylcyclohexyl)-4-[(4-fluorophenyl)thio]-3-nitro-benzamide Formula: C21H23FN2O3S MolecularWeight: 402.482323

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC(=O)C2=CC(=C(C=C2)SC3=CC=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

CC1CCCC(C1C)NC(=O)C2=CC(=C(C=C2)SC3=CC=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C21H23FN2O3S/c1-13-4-3-5-18(14(13)2)23-21(25)15-6-11-20(19(12-15)24(26)27)28-17-9-7-16(22)8-10-17/h6-14,18H,3-5H2,1-2H3,(H,23,25)