methyl 2-[[N'-hexyl-N-(phenylsulfonyl)carbamimidoyl]amino]benzoate

Systemtic Name: methyl 2-[[N'-hexyl-N-(phenylsulfonyl)carbamimidoyl]amino]benzoate Openeye Name: methyl 2-[[N-(benzenesulfonyl)-N'-hexyl-carbamimidoyl]amino]benzoate CAS Name: 2-[[benzenesulfonamido(hexylimino)methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[N-(benzenesulfonyl)-N'-hexylcarbamimidoyl]amino]benzoate Traditional Name: 2-[(N-besyl-N'-hexyl-amidino)amino]benzoic acid methyl ester Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O4S/c1-3-4-5-11-16-22-21(24-29(26,27)17-12-7-6-8-13-17)23-19-15-10-9-14-18(19)20(25)28-2/h6-10,12-15H,3-5,11,16H2,1-2H3,(H2,22,23,24)