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

Systemtic Name: phenyl N-[2-[4-(2-methylpropyl)phenyl]-2-(3-methylsulfanylpiperazin-1-yl)ethyl]sulfamate Openeye Name: phenyl N-[2-(4-isobutylphenyl)-2-(3-methylsulfanylpiperazin-1-yl)ethyl]sulfamate CAS Name: N-[2-[4-(2-methylpropyl)phenyl]-2-[3-(methylthio)-1-piperazinyl]ethyl]sulfamic acid phenyl ester IUPAC Name: phenyl N-[2-[4-(2-methylpropyl)phenyl]-2-(3-methylsulfanylpiperazin-1-yl)ethyl]sulfamate Traditional Name: N-[2-(4-isobutylphenyl)-2-[3-(methylthio)piperazino]ethyl]sulfamic acid phenyl ester Formula: C23H33N3O3S2 MolecularWeight: 463.65642

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C(CNS(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)SC

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C(CNS(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)SC

InChI

InChI=1S/C23H33N3O3S2/c1-18(2)15-19-9-11-20(12-10-19)22(26-14-13-24-23(17-26)30-3)16-25-31(27,28)29-21-7-5-4-6-8-21/h4-12,18,22-25H,13-17H2,1-3H3