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

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

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Descriptors Computed from Structure

Canonical SMILES:

COS(=O)(=O)NC1=C(C=C(C=C1)CC2=CC=CC=C2)N3CCNC(C3)SC

Isomeric SMILES

COS(=O)(=O)NC1=C(C=C(C=C1)CC2=CC=CC=C2)N3CCNC(C3)SC

InChI

InChI=1S/C19H25N3O3S2/c1-25-27(23,24)21-17-9-8-16(12-15-6-4-3-5-7-15)13-18(17)22-11-10-20-19(14-22)26-2/h3-9,13,19-21H,10-12,14H2,1-2H3