3-(azepan-1-ylcarbonyl)-4-methylsulfanyl-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide

Systemtic Name: 3-(azepan-1-ylcarbonyl)-4-methylsulfanyl-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide Openeye Name: 3-(azepane-1-carbonyl)-4-methylsulfanyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]benzenesulfonamide CAS Name: 3-[1-azepanyl(oxo)methyl]-4-(methylthio)-N-[[(2R)-2-oxolanyl]methyl]benzenesulfonamide IUPAC Name: 3-(azepane-1-carbonyl)-4-methylsulfanyl-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide Traditional Name: 3-(azepane-1-carbonyl)-4-(methylthio)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]benzenesulfonamide Formula: C19H28N2O4S2 MolecularWeight: 412.56662

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)S(=O)(=O)NCC2CCCO2)C(=O)N3CCCCCC3

Isomeric SMILES

CSC1=C(C=C(C=C1)S(=O)(=O)NC[C@H]2CCCO2)C(=O)N3CCCCCC3

InChI

InChI=1S/C19H28N2O4S2/c1-26-18-9-8-16(27(23,24)20-14-15-7-6-12-25-15)13-17(18)19(22)21-10-4-2-3-5-11-21/h8-9,13,15,20H,2-7,10-12,14H2,1H3/t15-/m1/s1