phenyl 2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanesulfonate

Systemtic Name: phenyl 2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanesulfonate Openeye Name: phenyl 2-[4-(3-thienylmethyl)piperazin-1-yl]ethanesulfonate CAS Name: 2-[4-(3-thiophenylmethyl)-1-piperazinyl]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanesulfonate Traditional Name: 2-[4-(3-thenyl)piperazino]ethanesulfonic acid phenyl ester Formula: C17H22N2O3S2 MolecularWeight: 366.49818

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCS(=O)(=O)OC2=CC=CC=C2)CC3=CSC=C3

Isomeric SMILES

C1CN(CCN1CCS(=O)(=O)OC2=CC=CC=C2)CC3=CSC=C3

InChI

InChI=1S/C17H22N2O3S2/c20-24(21,22-17-4-2-1-3-5-17)13-11-18-7-9-19(10-8-18)14-16-6-12-23-15-16/h1-6,12,15H,7-11,13-14H2