pentan-2-yl 4-acetamidobenzenesulfonate

Systemtic Name: pentan-2-yl 4-acetamidobenzenesulfonate Openeye Name: 1-methylbutyl 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid pentan-2-yl ester IUPAC Name: pentan-2-yl 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid 1-methylbutyl ester Formula: C13H19NO4S MolecularWeight: 285.35926

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)OS(=O)(=O)C1=CC=C(C=C1)NC(=O)C

Isomeric SMILES

CCCC(C)OS(=O)(=O)C1=CC=C(C=C1)NC(=O)C

InChI

InChI=1S/C13H19NO4S/c1-4-5-10(2)18-19(16,17)13-8-6-12(7-9-13)14-11(3)15/h6-10H,4-5H2,1-3H3,(H,14,15)