N-(4-methylpyrimidin-2-yl)-4-[(3-nitrophenyl)methylsulfonylamino]benzenesulfonamide

Systemtic Name: N-(4-methylpyrimidin-2-yl)-4-[(3-nitrophenyl)methylsulfonylamino]benzenesulfonamide Openeye Name: N-(4-methylpyrimidin-2-yl)-4-[(3-nitrophenyl)methylsulfonylamino]benzenesulfonamide CAS Name: N-(4-methyl-2-pyrimidinyl)-4-[(3-nitrophenyl)methylsulfonylamino]benzenesulfonamide IUPAC Name: N-(4-methylpyrimidin-2-yl)-4-[(3-nitrophenyl)methylsulfonylamino]benzenesulfonamide Traditional Name: N-(4-methylpyrimidin-2-yl)-4-[(3-nitrobenzyl)sulfonylamino]benzenesulfonamide Formula: C18H17N5O6S2 MolecularWeight: 463.48748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)CC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H17N5O6S2/c1-13-9-10-19-18(20-13)22-31(28,29)17-7-5-15(6-8-17)21-30(26,27)12-14-3-2-4-16(11-14)23(24)25/h2-11,21H,12H2,1H3,(H,19,20,22)