N-(furan-2-ylmethyl)-2-[3-nitro-5-(phenylmethyl)sulfonyl-phenyl]sulfanyl-ethanamide

Systemtic Name: N-(furan-2-ylmethyl)-2-[3-nitro-5-(phenylmethyl)sulfonyl-phenyl]sulfanyl-ethanamide Openeye Name: 2-(3-benzylsulfonyl-5-nitro-phenyl)sulfanyl-N-(2-furylmethyl)acetamide CAS Name: N-(2-furanylmethyl)-2-[[3-nitro-5-(phenylmethyl)sulfonylphenyl]thio]acetamide IUPAC Name: 2-(3-benzylsulfonyl-5-nitrophenyl)sulfanyl-N-(furan-2-ylmethyl)acetamide Traditional Name: 2-[(3-benzylsulfonyl-5-nitro-phenyl)thio]-N-(2-furfuryl)acetamide Formula: C20H18N2O6S2 MolecularWeight: 446.49672

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CS(=O)(=O)C2=CC(=CC(=C2)SCC(=O)NCC3=CC=CO3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CS(=O)(=O)C2=CC(=CC(=C2)SCC(=O)NCC3=CC=CO3)[N+](=O)[O-]

InChI

InChI=1S/C20H18N2O6S2/c23-20(21-12-17-7-4-8-28-17)13-29-18-9-16(22(24)25)10-19(11-18)30(26,27)14-15-5-2-1-3-6-15/h1-11H,12-14H2,(H,21,23)