N-[[4-(hydroxymethyl)phenyl]methyl]-2-nitro-N-(pyridin-2-ylmethyl)benzenesulfonamide

Systemtic Name: N-[[4-(hydroxymethyl)phenyl]methyl]-2-nitro-N-(pyridin-2-ylmethyl)benzenesulfonamide Openeye Name: N-[[4-(hydroxymethyl)phenyl]methyl]-2-nitro-N-(2-pyridylmethyl)benzenesulfonamide CAS Name: N-[[4-(hydroxymethyl)phenyl]methyl]-2-nitro-N-(2-pyridinylmethyl)benzenesulfonamide IUPAC Name: N-[[4-(hydroxymethyl)phenyl]methyl]-2-nitro-N-(pyridin-2-ylmethyl)benzenesulfonamide Traditional Name: N-(4-methylolbenzyl)-2-nitro-N-(2-pyridylmethyl)benzenesulfonamide Formula: C20H19N3O5S MolecularWeight: 413.44696

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)N(CC2=CC=C(C=C2)CO)CC3=CC=CC=N3

Isomeric SMILES

C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)N(CC2=CC=C(C=C2)CO)CC3=CC=CC=N3

InChI

InChI=1S/C20H19N3O5S/c24-15-17-10-8-16(9-11-17)13-22(14-18-5-3-4-12-21-18)29(27,28)20-7-2-1-6-19(20)23(25)26/h1-12,24H,13-15H2