2-[(3-chloranyl-4-methoxy-phenyl)sulfonyl-phenethyl-amino]ethanoate

Systemtic Name: 2-[(3-chloranyl-4-methoxy-phenyl)sulfonyl-phenethyl-amino]ethanoate Openeye Name: 2-[(3-chloro-4-methoxy-phenyl)sulfonyl-phenethyl-amino]acetate CAS Name: 2-[(3-chloro-4-methoxyphenyl)sulfonyl-phenethylamino]acetate IUPAC Name: 2-[(3-chloro-4-methoxyphenyl)sulfonyl-phenethylamino]acetate Traditional Name: 2-[(3-chloro-4-methoxy-phenyl)sulfonyl-phenethyl-amino]acetate Formula: C17H17ClNO5S- MolecularWeight: 382.83858

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])Cl

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])Cl

InChI

InChI=1S/C17H18ClNO5S/c1-24-16-8-7-14(11-15(16)18)25(22,23)19(12-17(20)21)10-9-13-5-3-2-4-6-13/h2-8,11H,9-10,12H2,1H3,(H,20,21)/p-1