(E)-N-[(2S)-1-(azocan-1-yl)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-2-phenyl-ethenesulfonamide

Systemtic Name: (E)-N-[(2S)-1-(azocan-1-yl)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-2-phenyl-ethenesulfonamide Openeye Name: (E)-N-[(1S)-1-(azocane-1-carbonyl)-3-methylsulfanyl-propyl]-2-phenyl-ethenesulfonamide CAS Name: (E)-N-[(2S)-1-(1-azocanyl)-4-(methylthio)-1-oxobutan-2-yl]-2-phenylethenesulfonamide IUPAC Name: (E)-N-[(2S)-1-(azocan-1-yl)-4-methylsulfanyl-1-oxobutan-2-yl]-2-phenylethenesulfonamide Traditional Name: (E)-N-[(1S)-1-(azocane-1-carbonyl)-3-(methylthio)propyl]-2-phenyl-ethenesulfonamide Formula: C20H30N2O3S2 MolecularWeight: 410.5938

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)N1CCCCCCC1)NS(=O)(=O)C=CC2=CC=CC=C2

Isomeric SMILES

CSCC[C@@H](C(=O)N1CCCCCCC1)NS(=O)(=O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C20H30N2O3S2/c1-26-16-12-19(20(23)22-14-8-3-2-4-9-15-22)21-27(24,25)17-13-18-10-6-5-7-11-18/h5-7,10-11,13,17,19,21H,2-4,8-9,12,14-16H2,1H3/b17-13+/t19-/m0/s1