benzotriazol-1-yl 4-[4-[4-(7-methoxyheptylsulfanyl)phenyl]piperazin-1-yl]benzoate

Systemtic Name: benzotriazol-1-yl 4-[4-[4-(7-methoxyheptylsulfanyl)phenyl]piperazin-1-yl]benzoate Openeye Name: benzotriazol-1-yl 4-[4-[4-(7-methoxyheptylsulfanyl)phenyl]piperazin-1-yl]benzoate CAS Name: 4-[4-[4-(7-methoxyheptylthio)phenyl]-1-piperazinyl]benzoic acid 1-benzotriazolyl ester IUPAC Name: benzotriazol-1-yl 4-[4-[4-(7-methoxyheptylsulfanyl)phenyl]piperazin-1-yl]benzoate Traditional Name: 4-[4-[4-(7-methoxyheptylthio)phenyl]piperazino]benzoic acid benzotriazol-1-yl ester Formula: C31H37N5O3S MolecularWeight: 559.72218

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Descriptors Computed from Structure

Canonical SMILES:

COCCCCCCCSC1=CC=C(C=C1)N2CCN(CC2)C3=CC=C(C=C3)C(=O)ON4C5=CC=CC=C5N=N4

Isomeric SMILES

COCCCCCCCSC1=CC=C(C=C1)N2CCN(CC2)C3=CC=C(C=C3)C(=O)ON4C5=CC=CC=C5N=N4

InChI

InChI=1S/C31H37N5O3S/c1-38-23-7-3-2-4-8-24-40-28-17-15-27(16-18-28)35-21-19-34(20-22-35)26-13-11-25(12-14-26)31(37)39-36-30-10-6-5-9-29(30)32-33-36/h5-6,9-18H,2-4,7-8,19-24H2,1H3