(2S,3R)-2-(4-chlorophenyl)-1-(4-methylphenyl)sulfonyl-3-oct-1-ynyl-aziridine

Systemtic Name: (2S,3R)-2-(4-chlorophenyl)-1-(4-methylphenyl)sulfonyl-3-oct-1-ynyl-aziridine Openeye Name: (2S,3R)-2-(4-chlorophenyl)-3-oct-1-ynyl-1-(p-tolylsulfonyl)aziridine CAS Name: (2S,3R)-2-(4-chlorophenyl)-1-(4-methylphenyl)sulfonyl-3-oct-1-ynylaziridine IUPAC Name: (2S,3R)-2-(4-chlorophenyl)-1-(4-methylphenyl)sulfonyl-3-oct-1-ynylaziridine Traditional Name: (2S,3R)-2-(4-chlorophenyl)-3-oct-1-ynyl-1-tosyl-ethylenimine Formula: C23H26ClNO2S MolecularWeight: 415.97604

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC#CC1C(N1S(=O)(=O)C2=CC=C(C=C2)C)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCCCCCC#C[C@@H]1[C@@H](N1S(=O)(=O)C2=CC=C(C=C2)C)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H26ClNO2S/c1-3-4-5-6-7-8-9-22-23(19-12-14-20(24)15-13-19)25(22)28(26,27)21-16-10-18(2)11-17-21/h10-17,22-23H,3-7H2,1-2H3/t22-,23+,25?/m1/s1