methyl 4-[4-(3-chloranylpropylsulfonylamino)-2-methyl-phenyl]benzoate

Systemtic Name: methyl 4-[4-(3-chloranylpropylsulfonylamino)-2-methyl-phenyl]benzoate Openeye Name: methyl 4-[4-(3-chloropropylsulfonylamino)-2-methyl-phenyl]benzoate CAS Name: 4-[4-(3-chloropropylsulfonylamino)-2-methylphenyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-(3-chloropropylsulfonylamino)-2-methylphenyl]benzoate Traditional Name: 4-[4-(3-chloropropylsulfonylamino)-2-methyl-phenyl]benzoic acid methyl ester Formula: C18H20ClNO4S MolecularWeight: 381.8737

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NS(=O)(=O)CCCCl)C2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC1=C(C=CC(=C1)NS(=O)(=O)CCCCl)C2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C18H20ClNO4S/c1-13-12-16(20-25(22,23)11-3-10-19)8-9-17(13)14-4-6-15(7-5-14)18(21)24-2/h4-9,12,20H,3,10-11H2,1-2H3