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

Systemtic Name: ethyl N-[2-(3-methylsulfanylpiperazin-1-yl)-4-(phenylsulfonyl)phenyl]sulfamate Openeye Name: ethyl N-[4-(benzenesulfonyl)-2-(3-methylsulfanylpiperazin-1-yl)phenyl]sulfamate CAS Name: N-[4-(benzenesulfonyl)-2-[3-(methylthio)-1-piperazinyl]phenyl]sulfamic acid ethyl ester IUPAC Name: ethyl N-[4-(benzenesulfonyl)-2-(3-methylsulfanylpiperazin-1-yl)phenyl]sulfamate Traditional Name: N-[4-besyl-2-[3-(methylthio)piperazino]phenyl]sulfamic acid ethyl ester Formula: C19H25N3O5S3 MolecularWeight: 471.6139

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O5S3/c1-3-27-30(25,26)21-17-10-9-16(29(23,24)15-7-5-4-6-8-15)13-18(17)22-12-11-20-19(14-22)28-2/h4-10,13,19-21H,3,11-12,14H2,1-2H3