[(3S,4R)-3-ethylsulfanyl-4-nitro-4-(phenylsulfonyl)butyl]benzene

Systemtic Name: [(3S,4R)-3-ethylsulfanyl-4-nitro-4-(phenylsulfonyl)butyl]benzene Openeye Name: [(3S,4R)-4-(benzenesulfonyl)-3-ethylsulfanyl-4-nitro-butyl]benzene CAS Name: [(3S,4R)-4-(benzenesulfonyl)-3-(ethylthio)-4-nitrobutyl]benzene IUPAC Name: [(3S,4R)-4-(benzenesulfonyl)-3-ethylsulfanyl-4-nitrobutyl]benzene Traditional Name: [(3S,4R)-4-besyl-3-(ethylthio)-4-nitro-butyl]benzene Formula: C18H21NO4S2 MolecularWeight: 379.49364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC(CCC1=CC=CC=C1)C([N+](=O)[O-])S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CCS[C@@H](CCC1=CC=CC=C1)[C@H]([N+](=O)[O-])S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H21NO4S2/c1-2-24-17(14-13-15-9-5-3-6-10-15)18(19(20)21)25(22,23)16-11-7-4-8-12-16/h3-12,17-18H,2,13-14H2,1H3/t17-,18+/m0/s1