3-[(3-chlorophenyl)-methylsulfonyl-amino]propanoate

Systemtic Name: 3-[(3-chlorophenyl)-methylsulfonyl-amino]propanoate Openeye Name: 3-(3-chloro-N-methylsulfonyl-anilino)propanoate CAS Name: 3-(3-chloro-N-methylsulfonylanilino)propanoate IUPAC Name: 3-(3-chloro-N-methylsulfonylanilino)propanoate Traditional Name: 3-(3-chloro-N-mesyl-anilino)propionate Formula: C10H11ClNO4S- MolecularWeight: 276.71664

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CCC(=O)[O-])C1=CC(=CC=C1)Cl

Isomeric SMILES

CS(=O)(=O)N(CCC(=O)[O-])C1=CC(=CC=C1)Cl

InChI

InChI=1S/C10H12ClNO4S/c1-17(15,16)12(6-5-10(13)14)9-4-2-3-8(11)7-9/h2-4,7H,5-6H2,1H3,(H,13,14)/p-1