3-[[4-(4-methoxy-3-nitro-phenyl)pyrimidin-2-yl]amino]benzenesulfonamide

Systemtic Name: 3-[[4-(4-methoxy-3-nitro-phenyl)pyrimidin-2-yl]amino]benzenesulfonamide Openeye Name: 3-[[4-(4-methoxy-3-nitro-phenyl)pyrimidin-2-yl]amino]benzenesulfonamide CAS Name: 3-[[4-(4-methoxy-3-nitrophenyl)-2-pyrimidinyl]amino]benzenesulfonamide IUPAC Name: 3-[[4-(4-methoxy-3-nitrophenyl)pyrimidin-2-yl]amino]benzenesulfonamide Traditional Name: 3-[[4-(4-methoxy-3-nitro-phenyl)pyrimidin-2-yl]amino]benzenesulfonamide Formula: C17H15N5O5S MolecularWeight: 401.3965

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC(=NC=C2)NC3=CC(=CC=C3)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC(=NC=C2)NC3=CC(=CC=C3)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C17H15N5O5S/c1-27-16-6-5-11(9-15(16)22(23)24)14-7-8-19-17(21-14)20-12-3-2-4-13(10-12)28(18,25)26/h2-10H,1H3,(H2,18,25,26)(H,19,20,21)