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

Systemtic Name: 4-[2-[[2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]amino]ethyl]benzenesulfonamide Openeye Name: 4-[2-[[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]amino]ethyl]benzenesulfonamide CAS Name: 4-[2-[[2-(4-chloroanilino)-5-nitro-4-pyrimidinyl]amino]ethyl]benzenesulfonamide IUPAC Name: 4-[2-[[2-(4-chloroanilino)-5-nitropyrimidin-4-yl]amino]ethyl]benzenesulfonamide Traditional Name: 4-[2-[[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]amino]ethyl]benzenesulfonamide Formula: C18H17ClN6O4S MolecularWeight: 448.88338

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCNC2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl)S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1CCNC2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl)S(=O)(=O)N

InChI

InChI=1S/C18H17ClN6O4S/c19-13-3-5-14(6-4-13)23-18-22-11-16(25(26)27)17(24-18)21-10-9-12-1-7-15(8-2-12)30(20,28)29/h1-8,11H,9-10H2,(H2,20,28,29)(H2,21,22,23,24)