phenyl 2-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-yl]ethanesulfonate

Systemtic Name: phenyl 2-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-yl]ethanesulfonate Openeye Name: phenyl 2-[4-[(5-chloro-2-thienyl)methyl]piperazin-1-yl]ethanesulfonate CAS Name: 2-[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazinyl]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]ethanesulfonate Traditional Name: 2-[4-[(5-chloro-2-thienyl)methyl]piperazino]ethanesulfonic acid phenyl ester Formula: C17H21ClN2O3S2 MolecularWeight: 400.94324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCS(=O)(=O)OC2=CC=CC=C2)CC3=CC=C(S3)Cl

Isomeric SMILES

C1CN(CCN1CCS(=O)(=O)OC2=CC=CC=C2)CC3=CC=C(S3)Cl

InChI

InChI=1S/C17H21ClN2O3S2/c18-17-7-6-16(24-17)14-20-10-8-19(9-11-20)12-13-25(21,22)23-15-4-2-1-3-5-15/h1-7H,8-14H2