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

Systemtic Name: ethyl N-[2-(3-methylsulfanylpiperazin-1-yl)-4-propan-2-ylsulfonyl-phenyl]sulfamate Openeye Name: ethyl N-[4-isopropylsulfonyl-2-(3-methylsulfanylpiperazin-1-yl)phenyl]sulfamate CAS Name: N-[2-[3-(methylthio)-1-piperazinyl]-4-propan-2-ylsulfonylphenyl]sulfamic acid ethyl ester IUPAC Name: ethyl N-[2-(3-methylsulfanylpiperazin-1-yl)-4-propan-2-ylsulfonylphenyl]sulfamate Traditional Name: N-[4-isopropylsulfonyl-2-[3-(methylthio)piperazino]phenyl]sulfamic acid ethyl ester Formula: C16H27N3O5S3 MolecularWeight: 437.59768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H27N3O5S3/c1-5-24-27(22,23)18-14-7-6-13(26(20,21)12(2)3)10-15(14)19-9-8-17-16(11-19)25-4/h6-7,10,12,16-18H,5,8-9,11H2,1-4H3