N-[1-[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]carbonylpiperidin-4-yl]cyclopropanecarboxamide

Systemtic Name: N-[1-[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]carbonylpiperidin-4-yl]cyclopropanecarboxamide Openeye Name: N-[1-[3-nitro-4-(p-tolylsulfanyl)benzoyl]-4-piperidyl]cyclopropanecarboxamide CAS Name: N-[1-[[4-[(4-methylphenyl)thio]-3-nitrophenyl]-oxomethyl]-4-piperidinyl]cyclopropanecarboxamide IUPAC Name: N-[1-[4-(4-methylphenyl)sulfanyl-3-nitrobenzoyl]piperidin-4-yl]cyclopropanecarboxamide Traditional Name: N-[1-[3-nitro-4-(p-tolylthio)benzoyl]-4-piperidyl]cyclopropanecarboxamide Formula: C23H25N3O4S MolecularWeight: 439.5273

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)N3CCC(CC3)NC(=O)C4CC4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)N3CCC(CC3)NC(=O)C4CC4)[N+](=O)[O-]

InChI

InChI=1S/C23H25N3O4S/c1-15-2-7-19(8-3-15)31-21-9-6-17(14-20(21)26(29)30)23(28)25-12-10-18(11-13-25)24-22(27)16-4-5-16/h2-3,6-9,14,16,18H,4-5,10-13H2,1H3,(H,24,27)