4-[(4-ethylphenyl)methyl-methylsulfonyl-amino]butanoate

Systemtic Name: 4-[(4-ethylphenyl)methyl-methylsulfonyl-amino]butanoate Openeye Name: 4-[(4-ethylphenyl)methyl-methylsulfonyl-amino]butanoate CAS Name: 4-[(4-ethylphenyl)methyl-methylsulfonylamino]butanoate IUPAC Name: 4-[(4-ethylphenyl)methyl-methylsulfonylamino]butanoate Traditional Name: 4-[(4-ethylbenzyl)-mesyl-amino]butyrate Formula: C14H20NO4S- MolecularWeight: 298.3779

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CN(CCCC(=O)[O-])S(=O)(=O)C

Isomeric SMILES

CCC1=CC=C(C=C1)CN(CCCC(=O)[O-])S(=O)(=O)C

InChI

InChI=1S/C14H21NO4S/c1-3-12-6-8-13(9-7-12)11-15(20(2,18)19)10-4-5-14(16)17/h6-9H,3-5,10-11H2,1-2H3,(H,16,17)/p-1