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

Systemtic Name: methyl 2-[[N'-cycloheptyl-N-(phenylsulfonyl)carbamimidoyl]amino]benzoate Openeye Name: methyl 2-[[N-(benzenesulfonyl)-N'-cycloheptyl-carbamimidoyl]amino]benzoate CAS Name: 2-[[benzenesulfonamido(cycloheptylimino)methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[N-(benzenesulfonyl)-N'-cycloheptylcarbamimidoyl]amino]benzoate Traditional Name: 2-[(N-besyl-N'-cycloheptyl-amidino)amino]benzoic acid methyl ester Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=NC2CCCCCC2)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=NC2CCCCCC2)NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H27N3O4S/c1-29-21(26)19-15-9-10-16-20(19)24-22(23-17-11-5-2-3-6-12-17)25-30(27,28)18-13-7-4-8-14-18/h4,7-10,13-17H,2-3,5-6,11-12H2,1H3,(H2,23,24,25)