2-[4-[1-(1-benzothiophen-2-yl)cyclohexyl]piperazin-1-yl]ethyl methanesulfonate

Systemtic Name: 2-[4-[1-(1-benzothiophen-2-yl)cyclohexyl]piperazin-1-yl]ethyl methanesulfonate Openeye Name: 2-[4-[1-(benzothiophen-2-yl)cyclohexyl]piperazin-1-yl]ethyl methanesulfonate CAS Name: methanesulfonic acid 2-[4-[1-(1-benzothiophen-2-yl)cyclohexyl]-1-piperazinyl]ethyl ester IUPAC Name: 2-[4-[1-(1-benzothiophen-2-yl)cyclohexyl]piperazin-1-yl]ethyl methanesulfonate Traditional Name: methanesulfonic acid 2-[4-[1-(benzothiophen-2-yl)cyclohexyl]piperazino]ethyl ester Formula: C21H30N2O3S2 MolecularWeight: 422.6045

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCCN1CCN(CC1)C2(CCCCC2)C3=CC4=CC=CC=C4S3

Isomeric SMILES

CS(=O)(=O)OCCN1CCN(CC1)C2(CCCCC2)C3=CC4=CC=CC=C4S3

InChI

InChI=1S/C21H30N2O3S2/c1-28(24,25)26-16-15-22-11-13-23(14-12-22)21(9-5-2-6-10-21)20-17-18-7-3-4-8-19(18)27-20/h3-4,7-8,17H,2,5-6,9-16H2,1H3