2-[(1S)-1-cyano-2-(4-methylphenyl)ethyl]sulfanyl-N,N-dimethyl-1,3-benzoxazole-5-sulfonamide

Systemtic Name: 2-[(1S)-1-cyano-2-(4-methylphenyl)ethyl]sulfanyl-N,N-dimethyl-1,3-benzoxazole-5-sulfonamide Openeye Name: 2-[(1S)-1-cyano-2-(p-tolyl)ethyl]sulfanyl-N,N-dimethyl-1,3-benzoxazole-5-sulfonamide CAS Name: 2-[[(1S)-1-cyano-2-(4-methylphenyl)ethyl]thio]-N,N-dimethyl-1,3-benzoxazole-5-sulfonamide IUPAC Name: 2-[(1S)-1-cyano-2-(4-methylphenyl)ethyl]sulfanyl-N,N-dimethyl-1,3-benzoxazole-5-sulfonamide Traditional Name: 2-[[(1S)-1-cyano-2-(p-tolyl)ethyl]thio]-N,N-dimethyl-1,3-benzoxazole-5-sulfonamide Formula: C19H19N3O3S2 MolecularWeight: 401.50246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC(C#N)SC2=NC3=C(O2)C=CC(=C3)S(=O)(=O)N(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C[C@@H](C#N)SC2=NC3=C(O2)C=CC(=C3)S(=O)(=O)N(C)C

InChI

InChI=1S/C19H19N3O3S2/c1-13-4-6-14(7-5-13)10-15(12-20)26-19-21-17-11-16(8-9-18(17)25-19)27(23,24)22(2)3/h4-9,11,15H,10H2,1-3H3/t15-/m0/s1