N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-methyl-5-methylsulfonyl-benzamide

Systemtic Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-methyl-5-methylsulfonyl-benzamide Openeye Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-methyl-5-methylsulfonyl-benzamide CAS Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-methyl-5-methylsulfonylbenzamide IUPAC Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-methyl-5-methylsulfonylbenzamide Traditional Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-5-mesyl-2-methyl-benzamide Formula: C18H19NO5S MolecularWeight: 361.41216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)NCC2COC3=CC=CC=C3O2

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)NC[C@H]2COC3=CC=CC=C3O2

InChI

InChI=1S/C18H19NO5S/c1-12-7-8-14(25(2,21)22)9-15(12)18(20)19-10-13-11-23-16-5-3-4-6-17(16)24-13/h3-9,13H,10-11H2,1-2H3,(H,19,20)/t13-/m0/s1