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

Systemtic Name: 4-methyl-3-nitro-N-[(6-pyrrolidin-1-ylpyridin-3-yl)methyl]benzenesulfonamide Openeye Name: 4-methyl-3-nitro-N-[(6-pyrrolidin-1-yl-3-pyridyl)methyl]benzenesulfonamide CAS Name: 4-methyl-3-nitro-N-[[6-(1-pyrrolidinyl)-3-pyridinyl]methyl]benzenesulfonamide IUPAC Name: 4-methyl-3-nitro-N-[(6-pyrrolidin-1-ylpyridin-3-yl)methyl]benzenesulfonamide Traditional Name: 4-methyl-3-nitro-N-[(6-pyrrolidino-3-pyridyl)methyl]benzenesulfonamide Formula: C17H20N4O4S MolecularWeight: 376.4301

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NCC2=CN=C(C=C2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NCC2=CN=C(C=C2)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C17H20N4O4S/c1-13-4-6-15(10-16(13)21(22)23)26(24,25)19-12-14-5-7-17(18-11-14)20-8-2-3-9-20/h4-7,10-11,19H,2-3,8-9,12H2,1H3