4-[[[2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]amino]methyl]benzenesulfonamide

Systemtic Name: 4-[[[2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]amino]methyl]benzenesulfonamide Openeye Name: 4-[[[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]amino]methyl]benzenesulfonamide CAS Name: 4-[[[2-(4-chloroanilino)-5-nitro-4-pyrimidinyl]amino]methyl]benzenesulfonamide IUPAC Name: 4-[[[2-(4-chloroanilino)-5-nitropyrimidin-4-yl]amino]methyl]benzenesulfonamide Traditional Name: 4-[[[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]amino]methyl]benzenesulfonamide Formula: C17H15ClN6O4S MolecularWeight: 434.8568

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl)S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1CNC2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl)S(=O)(=O)N

InChI

InChI=1S/C17H15ClN6O4S/c18-12-3-5-13(6-4-12)22-17-21-10-15(24(25)26)16(23-17)20-9-11-1-7-14(8-2-11)29(19,27)28/h1-8,10H,9H2,(H2,19,27,28)(H2,20,21,22,23)