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

Systemtic Name: 4-[4-[(E)-2-[4-(4-octanoylpiperazin-1-yl)phenyl]ethenyl]naphthalen-1-yl]butane-1-sulfonate Openeye Name: 4-[4-[(E)-2-[4-(4-octanoylpiperazin-1-yl)phenyl]vinyl]-1-naphthyl]butane-1-sulfonate CAS Name: 4-[4-[(E)-2-[4-[4-(1-oxooctyl)-1-piperazinyl]phenyl]ethenyl]-1-naphthalenyl]-1-butanesulfonate IUPAC Name: 4-[4-[(E)-2-[4-(4-octanoylpiperazin-1-yl)phenyl]ethenyl]naphthalen-1-yl]butane-1-sulfonate Traditional Name: 4-[4-[(E)-2-[4-(4-caprylylpiperazino)phenyl]vinyl]-1-naphthyl]butane-1-sulfonate Formula: C34H43N2O4S- MolecularWeight: 575.78122

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)C=CC3=CC=C(C4=CC=CC=C34)CCCCS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)/C=C/C3=CC=C(C4=CC=CC=C34)CCCCS(=O)(=O)[O-]

InChI

InChI=1S/C34H44N2O4S/c1-2-3-4-5-6-14-34(37)36-25-23-35(24-26-36)31-21-16-28(17-22-31)15-18-30-20-19-29(11-9-10-27-41(38,39)40)32-12-7-8-13-33(30)32/h7-8,12-13,15-22H,2-6,9-11,14,23-27H2,1H3,(H,38,39,40)/p-1/b18-15+