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

Systemtic Name: methyl N-[2-(3-methylsulfanylpiperazin-1-yl)-4-propan-2-ylsulfonyl-phenyl]sulfamate Openeye Name: methyl N-[4-isopropylsulfonyl-2-(3-methylsulfanylpiperazin-1-yl)phenyl]sulfamate CAS Name: N-[2-[3-(methylthio)-1-piperazinyl]-4-propan-2-ylsulfonylphenyl]sulfamic acid methyl ester IUPAC Name: methyl N-[2-(3-methylsulfanylpiperazin-1-yl)-4-propan-2-ylsulfonylphenyl]sulfamate Traditional Name: N-[4-isopropylsulfonyl-2-[3-(methylthio)piperazino]phenyl]sulfamic acid methyl ester Formula: C15H25N3O5S3 MolecularWeight: 423.5711

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CC(=C(C=C1)NS(=O)(=O)OC)N2CCNC(C2)SC

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC(=C(C=C1)NS(=O)(=O)OC)N2CCNC(C2)SC

InChI

InChI=1S/C15H25N3O5S3/c1-11(2)25(19,20)12-5-6-13(17-26(21,22)23-3)14(9-12)18-8-7-16-15(10-18)24-4/h5-6,9,11,15-17H,7-8,10H2,1-4H3