N-[1-(azepan-1-yl)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[1-(azepan-1-yl)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-4-methyl-benzenesulfonamide Openeye Name: N-[1-(azepane-1-carbonyl)-3-methylsulfanyl-propyl]-4-methyl-benzenesulfonamide CAS Name: N-[1-(1-azepanyl)-4-(methylthio)-1-oxobutan-2-yl]-4-methylbenzenesulfonamide IUPAC Name: N-[1-(azepan-1-yl)-4-methylsulfanyl-1-oxobutan-2-yl]-4-methylbenzenesulfonamide Traditional Name: N-[1-(azepane-1-carbonyl)-3-(methylthio)propyl]-4-methyl-benzenesulfonamide Formula: C18H28N2O3S2 MolecularWeight: 384.55652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CCSC)C(=O)N2CCCCCC2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CCSC)C(=O)N2CCCCCC2

InChI

InChI=1S/C18H28N2O3S2/c1-15-7-9-16(10-8-15)25(22,23)19-17(11-14-24-2)18(21)20-12-5-3-4-6-13-20/h7-10,17,19H,3-6,11-14H2,1-2H3