N-[(2S)-1-(azocan-1-yl)-3-methyl-1-oxidanylidene-butan-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

Systemtic Name: N-[(2S)-1-(azocan-1-yl)-3-methyl-1-oxidanylidene-butan-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-[(1S)-1-(azocane-1-carbonyl)-2-methyl-propyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-[(2S)-1-(1-azocanyl)-3-methyl-1-oxobutan-2-yl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-[(2S)-1-(azocan-1-yl)-3-methyl-1-oxobutan-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-[(1S)-1-(azocane-1-carbonyl)-2-methyl-propyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C20H30N2O5S MolecularWeight: 410.5276

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCCCCCC1)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC(C)[C@@H](C(=O)N1CCCCCCC1)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C20H30N2O5S/c1-15(2)19(20(23)22-10-6-4-3-5-7-11-22)21-28(24,25)16-8-9-17-18(14-16)27-13-12-26-17/h8-9,14-15,19,21H,3-7,10-13H2,1-2H3/t19-/m0/s1