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

Systemtic Name: ethyl N-[4-(2-methylpropyl)-2-(3-methylsulfanylpiperazin-1-yl)phenyl]sulfamate Openeye Name: ethyl N-[4-isobutyl-2-(3-methylsulfanylpiperazin-1-yl)phenyl]sulfamate CAS Name: N-[4-(2-methylpropyl)-2-[3-(methylthio)-1-piperazinyl]phenyl]sulfamic acid ethyl ester IUPAC Name: ethyl N-[4-(2-methylpropyl)-2-(3-methylsulfanylpiperazin-1-yl)phenyl]sulfamate Traditional Name: N-[4-isobutyl-2-[3-(methylthio)piperazino]phenyl]sulfamic acid ethyl ester Formula: C17H29N3O3S2 MolecularWeight: 387.56046

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Descriptors Computed from Structure

Canonical SMILES:

CCOS(=O)(=O)NC1=C(C=C(C=C1)CC(C)C)N2CCNC(C2)SC

Isomeric SMILES

CCOS(=O)(=O)NC1=C(C=C(C=C1)CC(C)C)N2CCNC(C2)SC

InChI

InChI=1S/C17H29N3O3S2/c1-5-23-25(21,22)19-15-7-6-14(10-13(2)3)11-16(15)20-9-8-18-17(12-20)24-4/h6-7,11,13,17-19H,5,8-10,12H2,1-4H3