N-[(1S)-1-(3,4-diethoxyphenyl)-2-methyl-propyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

Systemtic Name: N-[(1S)-1-(3,4-diethoxyphenyl)-2-methyl-propyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-[(1S)-1-(3,4-diethoxyphenyl)-2-methyl-propyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-[(1S)-1-(3,4-diethoxyphenyl)-2-methylpropyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-[(1S)-1-(3,4-diethoxyphenyl)-2-methylpropyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-[(1S)-1-(3,4-diethoxyphenyl)-2-methyl-propyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C22H29NO6S MolecularWeight: 435.53376

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(C(C)C)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)[C@H](C(C)C)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3)OCC

InChI

InChI=1S/C22H29NO6S/c1-5-26-18-9-7-16(13-20(18)27-6-2)22(15(3)4)23-30(24,25)17-8-10-19-21(14-17)29-12-11-28-19/h7-10,13-15,22-23H,5-6,11-12H2,1-4H3/t22-/m0/s1