2-[4-[2-(2-piperidin-1-ylethylamino)ethylsulfonyl]phenyl]ethanesulfonic acid

Systemtic Name: 2-[4-[2-(2-piperidin-1-ylethylamino)ethylsulfonyl]phenyl]ethanesulfonic acid Openeye Name: 2-[4-[2-[2-(1-piperidyl)ethylamino]ethylsulfonyl]phenyl]ethanesulfonic acid CAS Name: 2-[4-[2-[2-(1-piperidinyl)ethylamino]ethylsulfonyl]phenyl]ethanesulfonic acid IUPAC Name: 2-[4-[2-(2-piperidin-1-ylethylamino)ethylsulfonyl]phenyl]ethanesulfonic acid Traditional Name: 2-[4-[2-(2-piperidinoethylamino)ethylsulfonyl]phenyl]ethanesulfonic acid Formula: C17H28N2O5S2 MolecularWeight: 404.54462

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCNCCS(=O)(=O)C2=CC=C(C=C2)CCS(=O)(=O)O

Isomeric SMILES

C1CCN(CC1)CCNCCS(=O)(=O)C2=CC=C(C=C2)CCS(=O)(=O)O

InChI

InChI=1S/C17H28N2O5S2/c20-25(21,15-10-18-9-13-19-11-2-1-3-12-19)17-6-4-16(5-7-17)8-14-26(22,23)24/h4-7,18H,1-3,8-15H2,(H,22,23,24)