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

Systemtic Name: 4-[4-[(E)-2-[4-(4-octanoylpiperazin-1-yl)phenyl]ethenyl]phenyl]butane-1-sulfonate Openeye Name: 4-[4-[(E)-2-[4-(4-octanoylpiperazin-1-yl)phenyl]vinyl]phenyl]butane-1-sulfonate CAS Name: 4-[4-[(E)-2-[4-[4-(1-oxooctyl)-1-piperazinyl]phenyl]ethenyl]phenyl]-1-butanesulfonate IUPAC Name: 4-[4-[(E)-2-[4-(4-octanoylpiperazin-1-yl)phenyl]ethenyl]phenyl]butane-1-sulfonate Traditional Name: 4-[4-[(E)-2-[4-(4-caprylylpiperazino)phenyl]vinyl]phenyl]butane-1-sulfonate Formula: C30H41N2O4S- MolecularWeight: 525.72254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H42N2O4S/c1-2-3-4-5-6-10-30(33)32-23-21-31(22-24-32)29-19-17-28(18-20-29)16-15-27-13-11-26(12-14-27)9-7-8-25-37(34,35)36/h11-20H,2-10,21-25H2,1H3,(H,34,35,36)/p-1/b16-15+