2-[(3-butylphenyl)methylsulfonyl-methyl-amino]ethanoate

Systemtic Name: 2-[(3-butylphenyl)methylsulfonyl-methyl-amino]ethanoate Openeye Name: 2-[(3-butylphenyl)methylsulfonyl-methyl-amino]acetate CAS Name: 2-[(3-butylphenyl)methylsulfonyl-methylamino]acetate IUPAC Name: 2-[(3-butylphenyl)methylsulfonyl-methylamino]acetate Traditional Name: 2-[(3-butylbenzyl)sulfonyl-methyl-amino]acetate Formula: C14H20NO4S- MolecularWeight: 298.3779

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=CC=C1)CS(=O)(=O)N(C)CC(=O)[O-]

Isomeric SMILES

CCCCC1=CC(=CC=C1)CS(=O)(=O)N(C)CC(=O)[O-]

InChI

InChI=1S/C14H21NO4S/c1-3-4-6-12-7-5-8-13(9-12)11-20(18,19)15(2)10-14(16)17/h5,7-9H,3-4,6,10-11H2,1-2H3,(H,16,17)/p-1