4-(4-aminocarbonylhexan-2-yl)benzenesulfonic acid

Systemtic Name: 4-(4-aminocarbonylhexan-2-yl)benzenesulfonic acid Openeye Name: 4-(3-carbamoyl-1-methyl-pentyl)benzenesulfonic acid CAS Name: 4-(4-carbamoylhexan-2-yl)benzenesulfonic acid IUPAC Name: 4-(4-carbamoylhexan-2-yl)benzenesulfonic acid Traditional Name: 4-(3-carbamoyl-1-methyl-pentyl)besylic acid Formula: C13H19NO4S MolecularWeight: 285.35926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19NO4S/c1-3-10(13(14)15)8-9(2)11-4-6-12(7-5-11)19(16,17)18/h4-7,9-10H,3,8H2,1-2H3,(H2,14,15)(H,16,17,18)