8-(methylamino)-2-(4-methylphenyl)sulfonyl-octanoic acid

Systemtic Name: 8-(methylamino)-2-(4-methylphenyl)sulfonyl-octanoic acid Openeye Name: 8-(methylamino)-2-(p-tolylsulfonyl)octanoic acid CAS Name: 8-(methylamino)-2-(4-methylphenyl)sulfonyloctanoic acid IUPAC Name: 8-(methylamino)-2-(4-methylphenyl)sulfonyloctanoic acid Traditional Name: 8-(methylamino)-2-tosyl-caprylic acid Formula: C16H25NO4S MolecularWeight: 327.439

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(CCCCCCNC)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(CCCCCCNC)C(=O)O

InChI

InChI=1S/C16H25NO4S/c1-13-8-10-14(11-9-13)22(20,21)15(16(18)19)7-5-3-4-6-12-17-2/h8-11,15,17H,3-7,12H2,1-2H3,(H,18,19)