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

Systemtic Name: methyl N-[2-(3-methylsulfanylpiperazin-1-yl)-4-phenyl-phenyl]sulfamate Openeye Name: methyl N-[2-(3-methylsulfanylpiperazin-1-yl)-4-phenyl-phenyl]sulfamate CAS Name: N-[2-[3-(methylthio)-1-piperazinyl]-4-phenylphenyl]sulfamic acid methyl ester IUPAC Name: methyl N-[2-(3-methylsulfanylpiperazin-1-yl)-4-phenylphenyl]sulfamate Traditional Name: N-[2-[3-(methylthio)piperazino]-4-phenyl-phenyl]sulfamic acid methyl ester Formula: C18H23N3O3S2 MolecularWeight: 393.52352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O3S2/c1-24-26(22,23)20-16-9-8-15(14-6-4-3-5-7-14)12-17(16)21-11-10-19-18(13-21)25-2/h3-9,12,18-20H,10-11,13H2,1-2H3