methyl 3-(3-chloranylpropylsulfonylamino)-4-methyl-benzoate

Systemtic Name: methyl 3-(3-chloranylpropylsulfonylamino)-4-methyl-benzoate Openeye Name: methyl 3-(3-chloropropylsulfonylamino)-4-methyl-benzoate CAS Name: 3-(3-chloropropylsulfonylamino)-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-(3-chloropropylsulfonylamino)-4-methylbenzoate Traditional Name: 3-(3-chloropropylsulfonylamino)-4-methyl-benzoic acid methyl ester Formula: C12H16ClNO4S MolecularWeight: 305.77774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16ClNO4S/c1-9-4-5-10(12(15)18-2)8-11(9)14-19(16,17)7-3-6-13/h4-5,8,14H,3,6-7H2,1-2H3