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

Systemtic Name: methyl 2-[[N'-cycloheptyl-N-(4-methylphenyl)sulfonyl-carbamimidoyl]amino]benzoate Openeye Name: methyl 2-[[N'-cycloheptyl-N-(p-tolylsulfonyl)carbamimidoyl]amino]benzoate CAS Name: 2-[[cycloheptylimino-[(4-methylphenyl)sulfonylamino]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[N'-cycloheptyl-N-(4-methylphenyl)sulfonylcarbamimidoyl]amino]benzoate Traditional Name: 2-[(N'-cycloheptyl-N-tosyl-amidino)amino]benzoic acid methyl ester Formula: C23H29N3O4S MolecularWeight: 443.55906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=NC2CCCCCC2)NC3=CC=CC=C3C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=NC2CCCCCC2)NC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C23H29N3O4S/c1-17-13-15-19(16-14-17)31(28,29)26-23(24-18-9-5-3-4-6-10-18)25-21-12-8-7-11-20(21)22(27)30-2/h7-8,11-16,18H,3-6,9-10H2,1-2H3,(H2,24,25,26)