4-[4-[(E)-2-[4-(4-decanoylpiperazin-1-yl)phenyl]ethenyl]phenyl]butane-1-sulfonate

Systemtic Name: 4-[4-[(E)-2-[4-(4-decanoylpiperazin-1-yl)phenyl]ethenyl]phenyl]butane-1-sulfonate Openeye Name: 4-[4-[(E)-2-[4-(4-decanoylpiperazin-1-yl)phenyl]vinyl]phenyl]butane-1-sulfonate CAS Name: 4-[4-[(E)-2-[4-[4-(1-oxodecyl)-1-piperazinyl]phenyl]ethenyl]phenyl]-1-butanesulfonate IUPAC Name: 4-[4-[(E)-2-[4-(4-decanoylpiperazin-1-yl)phenyl]ethenyl]phenyl]butane-1-sulfonate Traditional Name: 4-[4-[(E)-2-[4-(4-caprylpiperazino)phenyl]vinyl]phenyl]butane-1-sulfonate Formula: C32H45N2O4S- MolecularWeight: 553.7757

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)C=CC3=CC=C(C=C3)CCCCS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)/C=C/C3=CC=C(C=C3)CCCCS(=O)(=O)[O-]

InChI

InChI=1S/C32H46N2O4S/c1-2-3-4-5-6-7-8-12-32(35)34-25-23-33(24-26-34)31-21-19-30(20-22-31)18-17-29-15-13-28(14-16-29)11-9-10-27-39(36,37)38/h13-22H,2-12,23-27H2,1H3,(H,36,37,38)/p-1/b18-17+