2,3-dimethyl-5-nitro-N-[(6-pyrrolidin-1-ylpyridin-3-yl)methyl]benzenesulfonamide

Systemtic Name: 2,3-dimethyl-5-nitro-N-[(6-pyrrolidin-1-ylpyridin-3-yl)methyl]benzenesulfonamide Openeye Name: 2,3-dimethyl-5-nitro-N-[(6-pyrrolidin-1-yl-3-pyridyl)methyl]benzenesulfonamide CAS Name: 2,3-dimethyl-5-nitro-N-[[6-(1-pyrrolidinyl)-3-pyridinyl]methyl]benzenesulfonamide IUPAC Name: 2,3-dimethyl-5-nitro-N-[(6-pyrrolidin-1-ylpyridin-3-yl)methyl]benzenesulfonamide Traditional Name: 2,3-dimethyl-5-nitro-N-[(6-pyrrolidino-3-pyridyl)methyl]benzenesulfonamide Formula: C18H22N4O4S MolecularWeight: 390.45668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)S(=O)(=O)NCC2=CN=C(C=C2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1C)S(=O)(=O)NCC2=CN=C(C=C2)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H22N4O4S/c1-13-9-16(22(23)24)10-17(14(13)2)27(25,26)20-12-15-5-6-18(19-11-15)21-7-3-4-8-21/h5-6,9-11,20H,3-4,7-8,12H2,1-2H3