4-[(5-chloranyl-2-methyl-phenyl)sulfonyl-methyl-amino]butanoic acid

Systemtic Name: 4-[(5-chloranyl-2-methyl-phenyl)sulfonyl-methyl-amino]butanoic acid Openeye Name: 4-[(5-chloro-2-methyl-phenyl)sulfonyl-methyl-amino]butanoic acid CAS Name: 4-[(5-chloro-2-methylphenyl)sulfonyl-methylamino]butanoic acid IUPAC Name: 4-[(5-chloro-2-methylphenyl)sulfonyl-methylamino]butanoic acid Traditional Name: 4-[(5-chloro-2-methyl-phenyl)sulfonyl-methyl-amino]butyric acid Formula: C12H16ClNO4S MolecularWeight: 305.77774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)S(=O)(=O)N(C)CCCC(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)S(=O)(=O)N(C)CCCC(=O)O

InChI

InChI=1S/C12H16ClNO4S/c1-9-5-6-10(13)8-11(9)19(17,18)14(2)7-3-4-12(15)16/h5-6,8H,3-4,7H2,1-2H3,(H,15,16)