N-[[2-(dimethylamino)pyridin-3-yl]methyl]-4-[(3-nitrophenyl)sulfonylamino]benzamide

Systemtic Name: N-[[2-(dimethylamino)pyridin-3-yl]methyl]-4-[(3-nitrophenyl)sulfonylamino]benzamide Openeye Name: N-[[2-(dimethylamino)-3-pyridyl]methyl]-4-[(3-nitrophenyl)sulfonylamino]benzamide CAS Name: N-[[2-(dimethylamino)-3-pyridinyl]methyl]-4-[(3-nitrophenyl)sulfonylamino]benzamide IUPAC Name: N-[[2-(dimethylamino)pyridin-3-yl]methyl]-4-[(3-nitrophenyl)sulfonylamino]benzamide Traditional Name: N-[[2-(dimethylamino)-3-pyridyl]methyl]-4-[(3-nitrophenyl)sulfonylamino]benzamide Formula: C21H21N5O5S MolecularWeight: 455.48694

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=CC=N1)CNC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=C(C=CC=N1)CNC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O5S/c1-25(2)20-16(5-4-12-22-20)14-23-21(27)15-8-10-17(11-9-15)24-32(30,31)19-7-3-6-18(13-19)26(28)29/h3-13,24H,14H2,1-2H3,(H,23,27)