N-[(2S)-2-(phenylsulfonyl)-2-pyridin-3-yl-ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

Systemtic Name: N-[(2S)-2-(phenylsulfonyl)-2-pyridin-3-yl-ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-[(2S)-2-(benzenesulfonyl)-2-(3-pyridyl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-[(2S)-2-(benzenesulfonyl)-2-(3-pyridinyl)ethyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-[(2S)-2-besyl-2-(3-pyridyl)ethyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C21H20N2O6S2 MolecularWeight: 460.5233

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)NCC(C3=CN=CC=C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)NC[C@H](C3=CN=CC=C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H20N2O6S2/c24-30(25,17-6-2-1-3-7-17)21(16-5-4-10-22-14-16)15-23-31(26,27)18-8-9-19-20(13-18)29-12-11-28-19/h1-10,13-14,21,23H,11-12,15H2/t21-/m1/s1