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

Systemtic Name: N-[(2S)-1-(azepan-1-yl)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-[(1S)-1-(azepane-1-carbonyl)-3-methylsulfanyl-propyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-[(2S)-1-(1-azepanyl)-4-(methylthio)-1-oxobutan-2-yl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-[(2S)-1-(azepan-1-yl)-4-methylsulfanyl-1-oxobutan-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-[(1S)-1-(azepane-1-carbonyl)-3-(methylthio)propyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C19H28N2O5S2 MolecularWeight: 428.56602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N2O5S2/c1-27-13-8-16(19(22)21-9-4-2-3-5-10-21)20-28(23,24)15-6-7-17-18(14-15)26-12-11-25-17/h6-7,14,16,20H,2-5,8-13H2,1H3/t16-/m0/s1