methyl 2-[[N'-hexyl-N-(4-methylphenyl)sulfonyl-carbamimidoyl]amino]benzoate

Systemtic Name: methyl 2-[[N'-hexyl-N-(4-methylphenyl)sulfonyl-carbamimidoyl]amino]benzoate Openeye Name: methyl 2-[[N'-hexyl-N-(p-tolylsulfonyl)carbamimidoyl]amino]benzoate CAS Name: 2-[[hexylimino-[(4-methylphenyl)sulfonylamino]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[N'-hexyl-N-(4-methylphenyl)sulfonylcarbamimidoyl]amino]benzoate Traditional Name: 2-[(N'-hexyl-N-tosyl-amidino)amino]benzoic acid methyl ester Formula: C22H29N3O4S MolecularWeight: 431.54836

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN=C(NC1=CC=CC=C1C(=O)OC)NS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCCCN=C(NC1=CC=CC=C1C(=O)OC)NS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C22H29N3O4S/c1-4-5-6-9-16-23-22(24-20-11-8-7-10-19(20)21(26)29-3)25-30(27,28)18-14-12-17(2)13-15-18/h7-8,10-15H,4-6,9,16H2,1-3H3,(H2,23,24,25)