4-[[[5-(2-azanyl-2-oxidanylidene-ethoxy)-2-chloranyl-4-methyl-phenyl]sulfonylamino]methyl]benzoate

Systemtic Name: 4-[[[5-(2-azanyl-2-oxidanylidene-ethoxy)-2-chloranyl-4-methyl-phenyl]sulfonylamino]methyl]benzoate Openeye Name: 4-[[[5-(2-amino-2-oxo-ethoxy)-2-chloro-4-methyl-phenyl]sulfonylamino]methyl]benzoate CAS Name: 4-[[[5-(2-amino-2-oxoethoxy)-2-chloro-4-methylphenyl]sulfonylamino]methyl]benzoate IUPAC Name: 4-[[[5-(2-amino-2-oxoethoxy)-2-chloro-4-methylphenyl]sulfonylamino]methyl]benzoate Traditional Name: 4-[[[5-(2-amino-2-keto-ethoxy)-2-chloro-4-methyl-phenyl]sulfonylamino]methyl]benzoate Formula: C17H16ClN2O6S- MolecularWeight: 411.83674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1OCC(=O)N)S(=O)(=O)NCC2=CC=C(C=C2)C(=O)[O-])Cl

Isomeric SMILES

CC1=CC(=C(C=C1OCC(=O)N)S(=O)(=O)NCC2=CC=C(C=C2)C(=O)[O-])Cl

InChI

InChI=1S/C17H17ClN2O6S/c1-10-6-13(18)15(7-14(10)26-9-16(19)21)27(24,25)20-8-11-2-4-12(5-3-11)17(22)23/h2-7,20H,8-9H2,1H3,(H2,19,21)(H,22,23)/p-1