4-[(2-chlorophenyl)methyl-methylsulfonyl-amino]butanoate

Systemtic Name: 4-[(2-chlorophenyl)methyl-methylsulfonyl-amino]butanoate Openeye Name: 4-[(2-chlorophenyl)methyl-methylsulfonyl-amino]butanoate CAS Name: 4-[(2-chlorophenyl)methyl-methylsulfonylamino]butanoate IUPAC Name: 4-[(2-chlorophenyl)methyl-methylsulfonylamino]butanoate Traditional Name: 4-[(2-chlorobenzyl)-mesyl-amino]butyrate Formula: C12H15ClNO4S- MolecularWeight: 304.7698

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CCCC(=O)[O-])CC1=CC=CC=C1Cl

Isomeric SMILES

CS(=O)(=O)N(CCCC(=O)[O-])CC1=CC=CC=C1Cl

InChI

InChI=1S/C12H16ClNO4S/c1-19(17,18)14(8-4-7-12(15)16)9-10-5-2-3-6-11(10)13/h2-3,5-6H,4,7-9H2,1H3,(H,15,16)/p-1