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

Systemtic Name: N-[4-[(2S)-butan-2-yl]phenyl]-3-nitro-benzenesulfonamide Openeye Name: N-[4-[(1S)-1-methylpropyl]phenyl]-3-nitro-benzenesulfonamide CAS Name: N-[4-[(2S)-butan-2-yl]phenyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[4-[(2S)-butan-2-yl]phenyl]-3-nitrobenzenesulfonamide Traditional Name: N-[4-[(1S)-1-methylpropyl]phenyl]-3-nitro-benzenesulfonamide Formula: C16H18N2O4S MolecularWeight: 334.39012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O4S/c1-3-12(2)13-7-9-14(10-8-13)17-23(21,22)16-6-4-5-15(11-16)18(19)20/h4-12,17H,3H2,1-2H3/t12-/m0/s1