propyl 3-azanyl-2-propyl-benzenesulfonate

Systemtic Name: propyl 3-azanyl-2-propyl-benzenesulfonate Openeye Name: propyl 3-amino-2-propyl-benzenesulfonate CAS Name: 3-amino-2-propylbenzenesulfonic acid propyl ester IUPAC Name: propyl 3-amino-2-propylbenzenesulfonate Traditional Name: 3-amino-2-propyl-benzenesulfonic acid propyl ester Formula: C12H19NO3S MolecularWeight: 257.34916

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC=C1S(=O)(=O)OCCC)N

Isomeric SMILES

CCCC1=C(C=CC=C1S(=O)(=O)OCCC)N

InChI

InChI=1S/C12H19NO3S/c1-3-6-10-11(13)7-5-8-12(10)17(14,15)16-9-4-2/h5,7-8H,3-4,6,9,13H2,1-2H3