3-azanyl-6-(4-methoxyphenyl)-4-sulfanyl-hexane-1-sulfonic acid

Systemtic Name: 3-azanyl-6-(4-methoxyphenyl)-4-sulfanyl-hexane-1-sulfonic acid Openeye Name: 3-amino-6-(4-methoxyphenyl)-4-sulfanyl-hexane-1-sulfonic acid CAS Name: 3-amino-4-mercapto-6-(4-methoxyphenyl)-1-hexanesulfonic acid IUPAC Name: 3-amino-6-(4-methoxyphenyl)-4-sulfanylhexane-1-sulfonic acid Traditional Name: 3-amino-4-mercapto-6-(4-methoxyphenyl)hexane-1-sulfonic acid Formula: C13H21NO4S2 MolecularWeight: 319.44014

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCC(C(CCS(=O)(=O)O)N)S

Isomeric SMILES

COC1=CC=C(C=C1)CCC(C(CCS(=O)(=O)O)N)S

InChI

InChI=1S/C13H21NO4S2/c1-18-11-5-2-10(3-6-11)4-7-13(19)12(14)8-9-20(15,16)17/h2-3,5-6,12-13,19H,4,7-9,14H2,1H3,(H,15,16,17)