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

Systemtic Name: N-[(2S)-1-(azepan-1-yl)-3-methyl-1-oxidanylidene-butan-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-[(1S)-1-(azepane-1-carbonyl)-2-methyl-propyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-[(2S)-1-(1-azepanyl)-3-methyl-1-oxobutan-2-yl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-[(2S)-1-(azepan-1-yl)-3-methyl-1-oxobutan-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-[(1S)-1-(azepane-1-carbonyl)-2-methyl-propyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C19H28N2O5S MolecularWeight: 396.50102

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCCCCC1)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC(C)[C@@H](C(=O)N1CCCCCC1)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C19H28N2O5S/c1-14(2)18(19(22)21-9-5-3-4-6-10-21)20-27(23,24)15-7-8-16-17(13-15)26-12-11-25-16/h7-8,13-14,18,20H,3-6,9-12H2,1-2H3/t18-/m0/s1