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

Systemtic Name: N-[4-[(2S)-butan-2-yl]phenyl]-4-chloranyl-3-nitro-benzenesulfonamide Openeye Name: 4-chloro-N-[4-[(1S)-1-methylpropyl]phenyl]-3-nitro-benzenesulfonamide CAS Name: N-[4-[(2S)-butan-2-yl]phenyl]-4-chloro-3-nitrobenzenesulfonamide IUPAC Name: N-[4-[(2S)-butan-2-yl]phenyl]-4-chloro-3-nitrobenzenesulfonamide Traditional Name: 4-chloro-N-[4-[(1S)-1-methylpropyl]phenyl]-3-nitro-benzenesulfonamide Formula: C16H17ClN2O4S MolecularWeight: 368.83518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17ClN2O4S/c1-3-11(2)12-4-6-13(7-5-12)18-24(22,23)14-8-9-15(17)16(10-14)19(20)21/h4-11,18H,3H2,1-2H3/t11-/m0/s1