N-[(1-ethylpyrrolidin-2-yl)methyl]-5-ethylsulfonyl-2-methoxy-4-nitro-benzamide

Systemtic Name: N-[(1-ethylpyrrolidin-2-yl)methyl]-5-ethylsulfonyl-2-methoxy-4-nitro-benzamide Openeye Name: N-[(1-ethylpyrrolidin-2-yl)methyl]-5-ethylsulfonyl-2-methoxy-4-nitro-benzamide CAS Name: N-[(1-ethyl-2-pyrrolidinyl)methyl]-5-ethylsulfonyl-2-methoxy-4-nitrobenzamide IUPAC Name: N-[(1-ethylpyrrolidin-2-yl)methyl]-5-ethylsulfonyl-2-methoxy-4-nitrobenzamide Traditional Name: 5-esyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-4-nitro-benzamide Formula: C17H25N3O6S MolecularWeight: 399.4619

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCC1CNC(=O)C2=CC(=C(C=C2OC)[N+](=O)[O-])S(=O)(=O)CC

Isomeric SMILES

CCN1CCCC1CNC(=O)C2=CC(=C(C=C2OC)[N+](=O)[O-])S(=O)(=O)CC

InChI

InChI=1S/C17H25N3O6S/c1-4-19-8-6-7-12(19)11-18-17(21)13-9-16(27(24,25)5-2)14(20(22)23)10-15(13)26-3/h9-10,12H,4-8,11H2,1-3H3,(H,18,21)