(2S)-1,4-bis-(4-methylphenyl)sulfonyl-2-propan-2-yl-1,4,7-triazonane

Systemtic Name: (2S)-1,4-bis-(4-methylphenyl)sulfonyl-2-propan-2-yl-1,4,7-triazonane Openeye Name: (2S)-2-isopropyl-1,4-bis(p-tolylsulfonyl)-1,4,7-triazonane CAS Name: (2S)-1,4-bis-(4-methylphenyl)sulfonyl-2-propan-2-yl-1,4,7-triazonane IUPAC Name: (2S)-1,4-bis-(4-methylphenyl)sulfonyl-2-propan-2-yl-1,4,7-triazonane Traditional Name: (2S)-2-isopropyl-1,4-ditosyl-1,4,7-triazonane Formula: C23H33N3O4S2 MolecularWeight: 479.65582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCNCCN(C(C2)C(C)C)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCNCCN([C@H](C2)C(C)C)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C23H33N3O4S2/c1-18(2)23-17-25(31(27,28)21-9-5-19(3)6-10-21)15-13-24-14-16-26(23)32(29,30)22-11-7-20(4)8-12-22/h5-12,18,23-24H,13-17H2,1-4H3/t23-/m1/s1