N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-2,4-bis(methylsulfonyl)aniline

Systemtic Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-2,4-bis(methylsulfonyl)aniline Openeye Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-2,4-bis(methylsulfonyl)aniline CAS Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-2,4-bis(methylsulfonyl)aniline IUPAC Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-2,4-bis(methylsulfonyl)aniline Traditional Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-(2,4-dimesylphenyl)-methyl-amine Formula: C18H21NO6S2 MolecularWeight: 411.49244

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1COC2=CC=CC=C2O1)C3=C(C=C(C=C3)S(=O)(=O)C)S(=O)(=O)C

Isomeric SMILES

CN(C[C@H]1COC2=CC=CC=C2O1)C3=C(C=C(C=C3)S(=O)(=O)C)S(=O)(=O)C

InChI

InChI=1S/C18H21NO6S2/c1-19(11-13-12-24-16-6-4-5-7-17(16)25-13)15-9-8-14(26(2,20)21)10-18(15)27(3,22)23/h4-10,13H,11-12H2,1-3H3/t13-/m0/s1