phenyl N-[2-(3-methylsulfanylpiperazin-1-yl)-2-(4-propylphenyl)ethyl]sulfamate

Systemtic Name: phenyl N-[2-(3-methylsulfanylpiperazin-1-yl)-2-(4-propylphenyl)ethyl]sulfamate Openeye Name: phenyl N-[2-(3-methylsulfanylpiperazin-1-yl)-2-(4-propylphenyl)ethyl]sulfamate CAS Name: N-[2-[3-(methylthio)-1-piperazinyl]-2-(4-propylphenyl)ethyl]sulfamic acid phenyl ester IUPAC Name: phenyl N-[2-(3-methylsulfanylpiperazin-1-yl)-2-(4-propylphenyl)ethyl]sulfamate Traditional Name: N-[2-[3-(methylthio)piperazino]-2-(4-propylphenyl)ethyl]sulfamic acid phenyl ester Formula: C22H31N3O3S2 MolecularWeight: 449.62984

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(CNS(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)SC

Isomeric SMILES

CCCC1=CC=C(C=C1)C(CNS(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)SC

InChI

InChI=1S/C22H31N3O3S2/c1-3-7-18-10-12-19(13-11-18)21(25-15-14-23-22(17-25)29-2)16-24-30(26,27)28-20-8-5-4-6-9-20/h4-6,8-13,21-24H,3,7,14-17H2,1-2H3