1-[4-(4-nitrophenyl)sulfonylphenyl]-3-[3-(N'-pyridin-3-ylcarbamimidoyl)phenyl]urea

Systemtic Name: 1-[4-(4-nitrophenyl)sulfonylphenyl]-3-[3-(N'-pyridin-3-ylcarbamimidoyl)phenyl]urea Openeye Name: 1-[4-(4-nitrophenyl)sulfonylphenyl]-3-[3-[N'-(3-pyridyl)carbamimidoyl]phenyl]urea CAS Name: 1-[3-[amino(3-pyridinylimino)methyl]phenyl]-3-[4-(4-nitrophenyl)sulfonylphenyl]urea IUPAC Name: 1-[4-(4-nitrophenyl)sulfonylphenyl]-3-[3-(N'-pyridin-3-ylcarbamimidoyl)phenyl]urea Traditional Name: 1-(4-nosylphenyl)-3-[3-[N'-(3-pyridyl)amidino]phenyl]urea Formula: C25H20N6O5S MolecularWeight: 516.5285

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)NC2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])C(=NC4=CN=CC=C4)N

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)NC2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])C(=NC4=CN=CC=C4)N

InChI

InChI=1S/C25H20N6O5S/c26-24(28-20-5-2-14-27-16-20)17-3-1-4-19(15-17)30-25(32)29-18-6-10-22(11-7-18)37(35,36)23-12-8-21(9-13-23)31(33)34/h1-16H,(H2,26,28)(H2,29,30,32)