3-[(4-chloranyl-3-methyl-phenyl)sulfonyl-methyl-amino]propanoate

Systemtic Name: 3-[(4-chloranyl-3-methyl-phenyl)sulfonyl-methyl-amino]propanoate Openeye Name: 3-[(4-chloro-3-methyl-phenyl)sulfonyl-methyl-amino]propanoate CAS Name: 3-[(4-chloro-3-methylphenyl)sulfonyl-methylamino]propanoate IUPAC Name: 3-[(4-chloro-3-methylphenyl)sulfonyl-methylamino]propanoate Traditional Name: 3-[(4-chloro-3-methyl-phenyl)sulfonyl-methyl-amino]propionate Formula: C11H13ClNO4S- MolecularWeight: 290.74322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N(C)CCC(=O)[O-])Cl

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N(C)CCC(=O)[O-])Cl

InChI

InChI=1S/C11H14ClNO4S/c1-8-7-9(3-4-10(8)12)18(16,17)13(2)6-5-11(14)15/h3-4,7H,5-6H2,1-2H3,(H,14,15)/p-1