N-(1-cyclopropylcarbonylpiperidin-4-yl)-2-(2-fluorophenyl)sulfanyl-5-nitro-benzamide

Systemtic Name: N-(1-cyclopropylcarbonylpiperidin-4-yl)-2-(2-fluorophenyl)sulfanyl-5-nitro-benzamide Openeye Name: N-[1-(cyclopropanecarbonyl)-4-piperidyl]-2-(2-fluorophenyl)sulfanyl-5-nitro-benzamide CAS Name: N-[1-[cyclopropyl(oxo)methyl]-4-piperidinyl]-2-[(2-fluorophenyl)thio]-5-nitrobenzamide IUPAC Name: N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-(2-fluorophenyl)sulfanyl-5-nitrobenzamide Traditional Name: N-[1-(cyclopropanecarbonyl)-4-piperidyl]-2-[(2-fluorophenyl)thio]-5-nitro-benzamide Formula: C22H22FN3O4S MolecularWeight: 443.491183

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)N2CCC(CC2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])SC4=CC=CC=C4F

Isomeric SMILES

C1CC1C(=O)N2CCC(CC2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])SC4=CC=CC=C4F

InChI

InChI=1S/C22H22FN3O4S/c23-18-3-1-2-4-20(18)31-19-8-7-16(26(29)30)13-17(19)21(27)24-15-9-11-25(12-10-15)22(28)14-5-6-14/h1-4,7-8,13-15H,5-6,9-12H2,(H,24,27)