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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)NC2=CC(=CC=C2)S(=O)(=O)NCC3=CC=C(C=C3)S(=O)(=O)N)C(=N)N

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)NC2=CC(=CC=C2)S(=O)(=O)NCC3=CC=C(C=C3)S(=O)(=O)N)C(=N)N

InChI

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