(2S,3S)-2-ethynyl-1-(4-methoxy-2,3,6-trimethyl-phenyl)sulfonyl-3-(phenylmethyl)aziridine

Systemtic Name: (2S,3S)-2-ethynyl-1-(4-methoxy-2,3,6-trimethyl-phenyl)sulfonyl-3-(phenylmethyl)aziridine Openeye Name: (2S,3S)-2-benzyl-3-ethynyl-1-(4-methoxy-2,3,6-trimethyl-phenyl)sulfonyl-aziridine CAS Name: (2S,3S)-2-ethynyl-1-(4-methoxy-2,3,6-trimethylphenyl)sulfonyl-3-(phenylmethyl)aziridine IUPAC Name: (2S,3S)-2-benzyl-3-ethynyl-1-(4-methoxy-2,3,6-trimethylphenyl)sulfonylaziridine Traditional Name: (2S,3S)-2-benzyl-3-ethynyl-1-(4-methoxy-2,3,6-trimethyl-phenyl)sulfonyl-ethylenimine Formula: C21H23NO3S MolecularWeight: 369.47722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1S(=O)(=O)N2C(C2C#C)CC3=CC=CC=C3)C)C)OC

Isomeric SMILES

CC1=CC(=C(C(=C1S(=O)(=O)N2[C@H]([C@@H]2C#C)CC3=CC=CC=C3)C)C)OC

InChI

InChI=1S/C21H23NO3S/c1-6-18-19(13-17-10-8-7-9-11-17)22(18)26(23,24)21-14(2)12-20(25-5)15(3)16(21)4/h1,7-12,18-19H,13H2,2-5H3/t18-,19-,22?/m0/s1