(4-carbamimidoylphenyl) 4-[[3-[(2-methylpropan-2-yl)oxy]-3-oxidanylidene-propyl]sulfamoyl]benzoate

Systemtic Name: (4-carbamimidoylphenyl) 4-[[3-[(2-methylpropan-2-yl)oxy]-3-oxidanylidene-propyl]sulfamoyl]benzoate Openeye Name: (4-carbamimidoylphenyl) 4-[(3-tert-butoxy-3-oxo-propyl)sulfamoyl]benzoate CAS Name: 4-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]sulfamoyl]benzoic acid (4-carbamimidoylphenyl) ester IUPAC Name: (4-carbamimidoylphenyl) 4-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]sulfamoyl]benzoate Traditional Name: 4-[(3-tert-butoxy-3-keto-propyl)sulfamoyl]benzoic acid (4-amidinophenyl) ester Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCNS(=O)(=O)C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CC(C)(C)OC(=O)CCNS(=O)(=O)C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C21H25N3O6S/c1-21(2,3)30-18(25)12-13-24-31(27,28)17-10-6-15(7-11-17)20(26)29-16-8-4-14(5-9-16)19(22)23/h4-11,24H,12-13H2,1-3H3,(H3,22,23)