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

Systemtic Name: methyl 2-[[N'-cyclohexyl-N-(4-methylphenyl)sulfonyl-carbamimidoyl]amino]benzoate Openeye Name: methyl 2-[[N'-cyclohexyl-N-(p-tolylsulfonyl)carbamimidoyl]amino]benzoate CAS Name: 2-[[cyclohexylimino-[(4-methylphenyl)sulfonylamino]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[N'-cyclohexyl-N-(4-methylphenyl)sulfonylcarbamimidoyl]amino]benzoate Traditional Name: 2-[(N'-cyclohexyl-N-tosyl-amidino)amino]benzoic acid methyl ester Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=NC2CCCCC2)NC3=CC=CC=C3C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=NC2CCCCC2)NC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C22H27N3O4S/c1-16-12-14-18(15-13-16)30(27,28)25-22(23-17-8-4-3-5-9-17)24-20-11-7-6-10-19(20)21(26)29-2/h6-7,10-15,17H,3-5,8-9H2,1-2H3,(H2,23,24,25)