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

Systemtic Name: methyl 2-[[N'-cyclohexyl-N-(phenylsulfonyl)carbamimidoyl]amino]benzoate Openeye Name: methyl 2-[[N-(benzenesulfonyl)-N'-cyclohexyl-carbamimidoyl]amino]benzoate CAS Name: 2-[[benzenesulfonamido(cyclohexylimino)methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[N-(benzenesulfonyl)-N'-cyclohexylcarbamimidoyl]amino]benzoate Traditional Name: 2-[(N-besyl-N'-cyclohexyl-amidino)amino]benzoic acid methyl ester Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=NC2CCCCC2)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=NC2CCCCC2)NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H25N3O4S/c1-28-20(25)18-14-8-9-15-19(18)23-21(22-16-10-4-2-5-11-16)24-29(26,27)17-12-6-3-7-13-17/h3,6-9,12-16H,2,4-5,10-11H2,1H3,(H2,22,23,24)