2-[4-[2-[3-(4-butylpiperazin-1-yl)propylamino]ethylsulfonyl]phenyl]ethanesulfonic acid

Systemtic Name: 2-[4-[2-[3-(4-butylpiperazin-1-yl)propylamino]ethylsulfonyl]phenyl]ethanesulfonic acid Openeye Name: 2-[4-[2-[3-(4-butylpiperazin-1-yl)propylamino]ethylsulfonyl]phenyl]ethanesulfonic acid CAS Name: 2-[4-[2-[3-(4-butyl-1-piperazinyl)propylamino]ethylsulfonyl]phenyl]ethanesulfonic acid IUPAC Name: 2-[4-[2-[3-(4-butylpiperazin-1-yl)propylamino]ethylsulfonyl]phenyl]ethanesulfonic acid Traditional Name: 2-[4-[2-[3-(4-butylpiperazino)propylamino]ethylsulfonyl]phenyl]ethanesulfonic acid Formula: C21H37N3O5S2 MolecularWeight: 475.66558

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCN(CC1)CCCNCCS(=O)(=O)C2=CC=C(C=C2)CCS(=O)(=O)O

Isomeric SMILES

CCCCN1CCN(CC1)CCCNCCS(=O)(=O)C2=CC=C(C=C2)CCS(=O)(=O)O

InChI

InChI=1S/C21H37N3O5S2/c1-2-3-12-23-14-16-24(17-15-23)13-4-10-22-11-19-30(25,26)21-7-5-20(6-8-21)9-18-31(27,28)29/h5-8,22H,2-4,9-19H2,1H3,(H,27,28,29)