N,4-dimethyl-N-[2-[2-[(2S,3S)-3-propyloxiran-2-yl]phenyl]ethynyl]benzenesulfonamide

Systemtic Name: N,4-dimethyl-N-[2-[2-[(2S,3S)-3-propyloxiran-2-yl]phenyl]ethynyl]benzenesulfonamide Openeye Name: N,4-dimethyl-N-[2-[2-[(2S,3S)-3-propyloxiran-2-yl]phenyl]ethynyl]benzenesulfonamide CAS Name: N,4-dimethyl-N-[2-[2-[(2S,3S)-3-propyl-2-oxiranyl]phenyl]ethynyl]benzenesulfonamide IUPAC Name: N,4-dimethyl-N-[2-[2-[(2S,3S)-3-propyloxiran-2-yl]phenyl]ethynyl]benzenesulfonamide Traditional Name: N,4-dimethyl-N-[2-[2-[(2S,3S)-3-propyloxiran-2-yl]phenyl]ethynyl]benzenesulfonamide Formula: C21H23NO3S MolecularWeight: 369.47722

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C(O1)C2=CC=CC=C2C#CN(C)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCC[C@H]1[C@@H](O1)C2=CC=CC=C2C#CN(C)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H23NO3S/c1-4-7-20-21(25-20)19-9-6-5-8-17(19)14-15-22(3)26(23,24)18-12-10-16(2)11-13-18/h5-6,8-13,20-21H,4,7H2,1-3H3/t20-,21-/m0/s1