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

Systemtic Name: N-[4-[(2S)-butan-2-yl]phenyl]-4-methyl-3-nitro-benzenesulfonamide Openeye Name: 4-methyl-N-[4-[(1S)-1-methylpropyl]phenyl]-3-nitro-benzenesulfonamide CAS Name: N-[4-[(2S)-butan-2-yl]phenyl]-4-methyl-3-nitrobenzenesulfonamide IUPAC Name: N-[4-[(2S)-butan-2-yl]phenyl]-4-methyl-3-nitrobenzenesulfonamide Traditional Name: 4-methyl-N-[4-[(1S)-1-methylpropyl]phenyl]-3-nitro-benzenesulfonamide Formula: C17H20N2O4S MolecularWeight: 348.4167

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-]

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C17H20N2O4S/c1-4-12(2)14-6-8-15(9-7-14)18-24(22,23)16-10-5-13(3)17(11-16)19(20)21/h5-12,18H,4H2,1-3H3/t12-/m0/s1