N-[(2S)-1-(hexylsulfamoyl)-3-methyl-butan-2-yl]-4-nitro-benzenesulfonamide

Systemtic Name: N-[(2S)-1-(hexylsulfamoyl)-3-methyl-butan-2-yl]-4-nitro-benzenesulfonamide Openeye Name: N-[(1S)-1-(hexylsulfamoylmethyl)-2-methyl-propyl]-4-nitro-benzenesulfonamide CAS Name: N-[(2S)-1-(hexylsulfamoyl)-3-methylbutan-2-yl]-4-nitrobenzenesulfonamide IUPAC Name: N-[(2S)-1-(hexylsulfamoyl)-3-methylbutan-2-yl]-4-nitrobenzenesulfonamide Traditional Name: N-[(1S)-1-(hexylsulfamoylmethyl)-2-methyl-propyl]-4-nitro-benzenesulfonamide Formula: C17H29N3O6S2 MolecularWeight: 435.55866

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNS(=O)(=O)CC(C(C)C)NS(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CCCCCCNS(=O)(=O)C[C@H](C(C)C)NS(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C17H29N3O6S2/c1-4-5-6-7-12-18-27(23,24)13-17(14(2)3)19-28(25,26)16-10-8-15(9-11-16)20(21)22/h8-11,14,17-19H,4-7,12-13H2,1-3H3/t17-/m1/s1