N-(4-methoxy-2-nitro-phenyl)-3-(phenylmethyl)sulfonyl-propanamide

Systemtic Name: N-(4-methoxy-2-nitro-phenyl)-3-(phenylmethyl)sulfonyl-propanamide Openeye Name: 3-benzylsulfonyl-N-(4-methoxy-2-nitro-phenyl)propanamide CAS Name: N-(4-methoxy-2-nitrophenyl)-3-(phenylmethyl)sulfonylpropanamide IUPAC Name: 3-benzylsulfonyl-N-(4-methoxy-2-nitrophenyl)propanamide Traditional Name: 3-benzylsulfonyl-N-(4-methoxy-2-nitro-phenyl)propionamide Formula: C17H18N2O6S MolecularWeight: 378.39962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O6S/c1-25-14-7-8-15(16(11-14)19(21)22)18-17(20)9-10-26(23,24)12-13-5-3-2-4-6-13/h2-8,11H,9-10,12H2,1H3,(H,18,20)