N-[[3-(2-azanylethyl)phenyl]methyl]-2-nitro-N-(pyridin-2-ylmethyl)benzenesulfonamide

Systemtic Name: N-[[3-(2-azanylethyl)phenyl]methyl]-2-nitro-N-(pyridin-2-ylmethyl)benzenesulfonamide Openeye Name: N-[[3-(2-aminoethyl)phenyl]methyl]-2-nitro-N-(2-pyridylmethyl)benzenesulfonamide CAS Name: N-[[3-(2-aminoethyl)phenyl]methyl]-2-nitro-N-(2-pyridinylmethyl)benzenesulfonamide IUPAC Name: N-[[3-(2-aminoethyl)phenyl]methyl]-2-nitro-N-(pyridin-2-ylmethyl)benzenesulfonamide Traditional Name: N-[3-(2-aminoethyl)benzyl]-2-nitro-N-(2-pyridylmethyl)benzenesulfonamide Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O4S/c22-12-11-17-6-5-7-18(14-17)15-24(16-19-8-3-4-13-23-19)30(28,29)21-10-2-1-9-20(21)25(26)27/h1-10,13-14H,11-12,15-16,22H2