2-butyl-6-[methyl(phenylsulfonyl)amino]hexanoic acid

Systemtic Name: 2-butyl-6-[methyl(phenylsulfonyl)amino]hexanoic acid Openeye Name: 6-[benzenesulfonyl(methyl)amino]-2-butyl-hexanoic acid CAS Name: 6-[benzenesulfonyl(methyl)amino]-2-butylhexanoic acid IUPAC Name: 6-[benzenesulfonyl(methyl)amino]-2-butylhexanoic acid Traditional Name: 6-[besyl(methyl)amino]-2-butyl-hexanoic acid Formula: C17H27NO4S MolecularWeight: 341.46558

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCCCN(C)S(=O)(=O)C1=CC=CC=C1)C(=O)O

Isomeric SMILES

CCCCC(CCCCN(C)S(=O)(=O)C1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C17H27NO4S/c1-3-4-10-15(17(19)20)11-8-9-14-18(2)23(21,22)16-12-6-5-7-13-16/h5-7,12-13,15H,3-4,8-11,14H2,1-2H3,(H,19,20)