6-azanyl-2-[(3-carbamimidoylphenyl)amino]-N-[4-(2-sulfamoylphenyl)phenyl]hexanamide

Systemtic Name: 6-azanyl-2-[(3-carbamimidoylphenyl)amino]-N-[4-(2-sulfamoylphenyl)phenyl]hexanamide Openeye Name: 6-amino-2-(3-carbamimidoylanilino)-N-[4-(2-sulfamoylphenyl)phenyl]hexanamide CAS Name: 6-amino-2-(3-carbamimidoylanilino)-N-[4-(2-sulfamoylphenyl)phenyl]hexanamide IUPAC Name: 6-amino-2-(3-carbamimidoylanilino)-N-[4-(2-sulfamoylphenyl)phenyl]hexanamide Traditional Name: 2-(3-amidinoanilino)-6-amino-N-[4-(2-sulfamoylphenyl)phenyl]hexanamide Formula: C25H30N6O3S MolecularWeight: 494.6091

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N6O3S/c26-15-4-3-9-22(30-20-7-5-6-18(16-20)24(27)28)25(32)31-19-13-11-17(12-14-19)21-8-1-2-10-23(21)35(29,33)34/h1-2,5-8,10-14,16,22,30H,3-4,9,15,26H2,(H3,27,28)(H,31,32)(H2,29,33,34)