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

Systemtic Name: (2S)-1-(4-methylphenyl)sulfonyl-2-propan-2-yl-1,4,7-triazonane Openeye Name: (2S)-2-isopropyl-1-(p-tolylsulfonyl)-1,4,7-triazonane CAS Name: (2S)-1-(4-methylphenyl)sulfonyl-2-propan-2-yl-1,4,7-triazonane IUPAC Name: (2S)-1-(4-methylphenyl)sulfonyl-2-propan-2-yl-1,4,7-triazonane Traditional Name: (2S)-2-isopropyl-1-tosyl-1,4,7-triazonane Formula: C16H27N3O2S MolecularWeight: 325.46948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCNCCNCC2C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCNCCNC[C@@H]2C(C)C

InChI

InChI=1S/C16H27N3O2S/c1-13(2)16-12-18-9-8-17-10-11-19(16)22(20,21)15-6-4-14(3)5-7-15/h4-7,13,16-18H,8-12H2,1-3H3/t16-/m1/s1