2-methoxy-4-nitro-N-[(6-pyrrolidin-1-ylpyridin-3-yl)methyl]benzenesulfonamide

Systemtic Name: 2-methoxy-4-nitro-N-[(6-pyrrolidin-1-ylpyridin-3-yl)methyl]benzenesulfonamide Openeye Name: 2-methoxy-4-nitro-N-[(6-pyrrolidin-1-yl-3-pyridyl)methyl]benzenesulfonamide CAS Name: 2-methoxy-4-nitro-N-[[6-(1-pyrrolidinyl)-3-pyridinyl]methyl]benzenesulfonamide IUPAC Name: 2-methoxy-4-nitro-N-[(6-pyrrolidin-1-ylpyridin-3-yl)methyl]benzenesulfonamide Traditional Name: 2-methoxy-4-nitro-N-[(6-pyrrolidino-3-pyridyl)methyl]benzenesulfonamide Formula: C17H20N4O5S MolecularWeight: 392.4295

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])S(=O)(=O)NCC2=CN=C(C=C2)N3CCCC3

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])S(=O)(=O)NCC2=CN=C(C=C2)N3CCCC3

InChI

InChI=1S/C17H20N4O5S/c1-26-15-10-14(21(22)23)5-6-16(15)27(24,25)19-12-13-4-7-17(18-11-13)20-8-2-3-9-20/h4-7,10-11,19H,2-3,8-9,12H2,1H3