N-(2-methoxy-4-nitro-phenyl)-4-(phenylmethyl)sulfonyl-butanamide

Systemtic Name: N-(2-methoxy-4-nitro-phenyl)-4-(phenylmethyl)sulfonyl-butanamide Openeye Name: 4-benzylsulfonyl-N-(2-methoxy-4-nitro-phenyl)butanamide CAS Name: N-(2-methoxy-4-nitrophenyl)-4-(phenylmethyl)sulfonylbutanamide IUPAC Name: 4-benzylsulfonyl-N-(2-methoxy-4-nitrophenyl)butanamide Traditional Name: 4-benzylsulfonyl-N-(2-methoxy-4-nitro-phenyl)butyramide Formula: C18H20N2O6S MolecularWeight: 392.4262

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CCCS(=O)(=O)CC2=CC=CC=C2

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CCCS(=O)(=O)CC2=CC=CC=C2

InChI

InChI=1S/C18H20N2O6S/c1-26-17-12-15(20(22)23)9-10-16(17)19-18(21)8-5-11-27(24,25)13-14-6-3-2-4-7-14/h2-4,6-7,9-10,12H,5,8,11,13H2,1H3,(H,19,21)