N-[2-(furan-2-yl)-2-pyrrolidin-1-yl-ethyl]-4-methylsulfanyl-3-nitro-benzamide

Systemtic Name: N-[2-(furan-2-yl)-2-pyrrolidin-1-yl-ethyl]-4-methylsulfanyl-3-nitro-benzamide Openeye Name: N-[2-(2-furyl)-2-pyrrolidin-1-yl-ethyl]-4-methylsulfanyl-3-nitro-benzamide CAS Name: N-[2-(2-furanyl)-2-(1-pyrrolidinyl)ethyl]-4-(methylthio)-3-nitrobenzamide IUPAC Name: N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methylsulfanyl-3-nitrobenzamide Traditional Name: N-[2-(2-furyl)-2-pyrrolidino-ethyl]-4-(methylthio)-3-nitro-benzamide Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)NCC(C2=CC=CO2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)NCC(C2=CC=CO2)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O4S/c1-26-17-7-6-13(11-14(17)21(23)24)18(22)19-12-15(16-5-4-10-25-16)20-8-2-3-9-20/h4-7,10-11,15H,2-3,8-9,12H2,1H3,(H,19,22)