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

Systemtic Name: ethyl N-[2-(3-methylsulfanylpiperazin-1-yl)-4-phenyl-phenyl]sulfamate Openeye Name: ethyl N-[2-(3-methylsulfanylpiperazin-1-yl)-4-phenyl-phenyl]sulfamate CAS Name: N-[2-[3-(methylthio)-1-piperazinyl]-4-phenylphenyl]sulfamic acid ethyl ester IUPAC Name: ethyl N-[2-(3-methylsulfanylpiperazin-1-yl)-4-phenylphenyl]sulfamate Traditional Name: N-[2-[3-(methylthio)piperazino]-4-phenyl-phenyl]sulfamic acid ethyl ester Formula: C19H25N3O3S2 MolecularWeight: 407.5501

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Descriptors Computed from Structure

Canonical SMILES:

CCOS(=O)(=O)NC1=C(C=C(C=C1)C2=CC=CC=C2)N3CCNC(C3)SC

Isomeric SMILES

CCOS(=O)(=O)NC1=C(C=C(C=C1)C2=CC=CC=C2)N3CCNC(C3)SC

InChI

InChI=1S/C19H25N3O3S2/c1-3-25-27(23,24)21-17-10-9-16(15-7-5-4-6-8-15)13-18(17)22-12-11-20-19(14-22)26-2/h4-10,13,19-21H,3,11-12,14H2,1-2H3