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

Systemtic Name: 4-[(4-chloranyl-3-methyl-phenyl)sulfonyl-methyl-amino]butanoate Openeye Name: 4-[(4-chloro-3-methyl-phenyl)sulfonyl-methyl-amino]butanoate CAS Name: 4-[(4-chloro-3-methylphenyl)sulfonyl-methylamino]butanoate IUPAC Name: 4-[(4-chloro-3-methylphenyl)sulfonyl-methylamino]butanoate Traditional Name: 4-[(4-chloro-3-methyl-phenyl)sulfonyl-methyl-amino]butyrate Formula: C12H15ClNO4S- MolecularWeight: 304.7698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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