4-isothiocyanato-N-[(1S)-1-phenylethyl]benzenesulfonamide

Systemtic Name: 4-isothiocyanato-N-[(1S)-1-phenylethyl]benzenesulfonamide Openeye Name: 4-isothiocyanato-N-[(1S)-1-phenylethyl]benzenesulfonamide CAS Name: 4-isothiocyanato-N-[(1S)-1-phenylethyl]benzenesulfonamide IUPAC Name: 4-isothiocyanato-N-[(1S)-1-phenylethyl]benzenesulfonamide Traditional Name: 4-isothiocyanato-N-[(1S)-1-phenylethyl]benzenesulfonamide Formula: C15H14N2O2S2 MolecularWeight: 318.41386

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)N=C=S

Isomeric SMILES

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

InChI

InChI=1S/C15H14N2O2S2/c1-12(13-5-3-2-4-6-13)17-21(18,19)15-9-7-14(8-10-15)16-11-20/h2-10,12,17H,1H3/t12-/m0/s1