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

Systemtic Name: 4-[2-[(E)-2-[4-(4-octanoylpiperazin-1-yl)phenyl]ethenyl]phenyl]butane-1-sulfonate Openeye Name: 4-[2-[(E)-2-[4-(4-octanoylpiperazin-1-yl)phenyl]vinyl]phenyl]butane-1-sulfonate CAS Name: 4-[2-[(E)-2-[4-[4-(1-oxooctyl)-1-piperazinyl]phenyl]ethenyl]phenyl]-1-butanesulfonate IUPAC Name: 4-[2-[(E)-2-[4-(4-octanoylpiperazin-1-yl)phenyl]ethenyl]phenyl]butane-1-sulfonate Traditional Name: 4-[2-[(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=CC=C3CCCCS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)/C=C/C3=CC=CC=C3CCCCS(=O)(=O)[O-]

InChI

InChI=1S/C30H42N2O4S/c1-2-3-4-5-6-14-30(33)32-23-21-31(22-24-32)29-19-16-26(17-20-29)15-18-28-12-8-7-11-27(28)13-9-10-25-37(34,35)36/h7-8,11-12,15-20H,2-6,9-10,13-14,21-25H2,1H3,(H,34,35,36)/p-1/b18-15+