N-[2-(cyclohexen-1-yl)ethyl]-4-(4-fluorophenyl)sulfanyl-3-nitro-benzamide

Systemtic Name: N-[2-(cyclohexen-1-yl)ethyl]-4-(4-fluorophenyl)sulfanyl-3-nitro-benzamide Openeye Name: N-[2-(cyclohexen-1-yl)ethyl]-4-(4-fluorophenyl)sulfanyl-3-nitro-benzamide CAS Name: N-[2-(1-cyclohexenyl)ethyl]-4-[(4-fluorophenyl)thio]-3-nitrobenzamide IUPAC Name: N-[2-(cyclohexen-1-yl)ethyl]-4-(4-fluorophenyl)sulfanyl-3-nitrobenzamide Traditional Name: N-[2-(cyclohexen-1-yl)ethyl]-4-[(4-fluorophenyl)thio]-3-nitro-benzamide Formula: C21H21FN2O3S MolecularWeight: 400.466443

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCNC(=O)C2=CC(=C(C=C2)SC3=CC=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

C1CCC(=CC1)CCNC(=O)C2=CC(=C(C=C2)SC3=CC=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C21H21FN2O3S/c22-17-7-9-18(10-8-17)28-20-11-6-16(14-19(20)24(26)27)21(25)23-13-12-15-4-2-1-3-5-15/h4,6-11,14H,1-3,5,12-13H2,(H,23,25)