2-[4-[2-(3-piperidin-1-ylpropylamino)ethylsulfonyl]phenyl]ethanesulfonic acid

Systemtic Name: 2-[4-[2-(3-piperidin-1-ylpropylamino)ethylsulfonyl]phenyl]ethanesulfonic acid Openeye Name: 2-[4-[2-[3-(1-piperidyl)propylamino]ethylsulfonyl]phenyl]ethanesulfonic acid CAS Name: 2-[4-[2-[3-(1-piperidinyl)propylamino]ethylsulfonyl]phenyl]ethanesulfonic acid IUPAC Name: 2-[4-[2-(3-piperidin-1-ylpropylamino)ethylsulfonyl]phenyl]ethanesulfonic acid Traditional Name: 2-[4-[2-(3-piperidinopropylamino)ethylsulfonyl]phenyl]ethanesulfonic acid Formula: C18H30N2O5S2 MolecularWeight: 418.5712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H30N2O5S2/c21-26(22,16-11-19-10-4-14-20-12-2-1-3-13-20)18-7-5-17(6-8-18)9-15-27(23,24)25/h5-8,19H,1-4,9-16H2,(H,23,24,25)