(2-methylsulfonylphenyl)sulfonyl-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]azanide

Systemtic Name: (2-methylsulfonylphenyl)sulfonyl-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]azanide Openeye Name: (2-methylsulfonylphenyl)sulfonyl-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]azanide CAS Name: (2-methylsulfonylphenyl)sulfonyl-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]azanide IUPAC Name: (2-methylsulfonylphenyl)sulfonyl-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]azanide Traditional Name: (2-mesylphenyl)sulfonyl-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]azanide Formula: C19H22N3O6S3- MolecularWeight: 484.58948

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1S(=O)(=O)[N-]C2=CC(=CC=C2)S(=O)(=O)NC3=NCCCCC3

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1S(=O)(=O)[N-]C2=CC(=CC=C2)S(=O)(=O)NC3=NCCCCC3

InChI

InChI=1S/C19H22N3O6S3/c1-29(23,24)17-10-4-5-11-18(17)31(27,28)21-15-8-7-9-16(14-15)30(25,26)22-19-12-3-2-6-13-20-19/h4-5,7-11,14H,2-3,6,12-13H2,1H3,(H,20,22)/q-1