phenyl 2-[(5-chloranylthiophen-2-yl)methyl-ethyl-amino]ethanesulfonate

Systemtic Name: phenyl 2-[(5-chloranylthiophen-2-yl)methyl-ethyl-amino]ethanesulfonate Openeye Name: phenyl 2-[(5-chloro-2-thienyl)methyl-ethyl-amino]ethanesulfonate CAS Name: 2-[(5-chloro-2-thiophenyl)methyl-ethylamino]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[(5-chlorothiophen-2-yl)methyl-ethylamino]ethanesulfonate Traditional Name: 2-[(5-chloro-2-thienyl)methyl-ethyl-amino]ethanesulfonic acid phenyl ester Formula: C15H18ClNO3S2 MolecularWeight: 359.89132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CCS(=O)(=O)OC1=CC=CC=C1)CC2=CC=C(S2)Cl

Isomeric SMILES

CCN(CCS(=O)(=O)OC1=CC=CC=C1)CC2=CC=C(S2)Cl

InChI

InChI=1S/C15H18ClNO3S2/c1-2-17(12-14-8-9-15(16)21-14)10-11-22(18,19)20-13-6-4-3-5-7-13/h3-9H,2,10-12H2,1H3