2-acetamido-3-phenyl-cyclohexane-1-sulfonic acid

Systemtic Name: 2-acetamido-3-phenyl-cyclohexane-1-sulfonic acid Openeye Name: 2-acetamido-3-phenyl-cyclohexanesulfonic acid CAS Name: 2-acetamido-3-phenyl-1-cyclohexanesulfonic acid IUPAC Name: 2-acetamido-3-phenylcyclohexane-1-sulfonic acid Traditional Name: 2-acetamido-3-phenyl-cyclohexanesulfonic acid Formula: C14H19NO4S MolecularWeight: 297.36996

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(CCCC1S(=O)(=O)O)C2=CC=CC=C2

Isomeric SMILES

CC(=O)NC1C(CCCC1S(=O)(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C14H19NO4S/c1-10(16)15-14-12(11-6-3-2-4-7-11)8-5-9-13(14)20(17,18)19/h2-4,6-7,12-14H,5,8-9H2,1H3,(H,15,16)(H,17,18,19)