1-(4-carbamimidoylphenyl)-3-[4-[(4-sulfamoylphenyl)methylsulfamoyl]phenyl]urea

Systemtic Name: 1-(4-carbamimidoylphenyl)-3-[4-[(4-sulfamoylphenyl)methylsulfamoyl]phenyl]urea Openeye Name: 1-(4-carbamimidoylphenyl)-3-[4-[(4-sulfamoylphenyl)methylsulfamoyl]phenyl]urea CAS Name: 1-(4-carbamimidoylphenyl)-3-[4-[(4-sulfamoylphenyl)methylsulfamoyl]phenyl]urea IUPAC Name: 1-(4-carbamimidoylphenyl)-3-[4-[(4-sulfamoylphenyl)methylsulfamoyl]phenyl]urea Traditional Name: 1-(4-amidinophenyl)-3-[4-[(4-sulfamoylbenzyl)sulfamoyl]phenyl]urea Formula: C21H22N6O5S2 MolecularWeight: 502.56658

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNS(=O)(=O)C2=CC=C(C=C2)NC(=O)NC3=CC=C(C=C3)C(=N)N)S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1CNS(=O)(=O)C2=CC=C(C=C2)NC(=O)NC3=CC=C(C=C3)C(=N)N)S(=O)(=O)N

InChI

InChI=1S/C21H22N6O5S2/c22-20(23)15-3-5-16(6-4-15)26-21(28)27-17-7-11-19(12-8-17)34(31,32)25-13-14-1-9-18(10-2-14)33(24,29)30/h1-12,25H,13H2,(H3,22,23)(H2,24,29,30)(H2,26,27,28)