2-(2-methylpropoxymethyl)-3-phenylsulfanyl-1-(phenylsulfonyl)indole

Systemtic Name: 2-(2-methylpropoxymethyl)-3-phenylsulfanyl-1-(phenylsulfonyl)indole Openeye Name: 1-(benzenesulfonyl)-2-(isobutoxymethyl)-3-phenylsulfanyl-indole CAS Name: 1-(benzenesulfonyl)-2-(2-methylpropoxymethyl)-3-(phenylthio)indole IUPAC Name: 1-(benzenesulfonyl)-2-(2-methylpropoxymethyl)-3-phenylsulfanylindole Traditional Name: 1-besyl-2-(isobutoxymethyl)-3-(phenylthio)indole Formula: C25H25NO3S2 MolecularWeight: 451.6009

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)COCC1=C(C2=CC=CC=C2N1S(=O)(=O)C3=CC=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

CC(C)COCC1=C(C2=CC=CC=C2N1S(=O)(=O)C3=CC=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C25H25NO3S2/c1-19(2)17-29-18-24-25(30-20-11-5-3-6-12-20)22-15-9-10-16-23(22)26(24)31(27,28)21-13-7-4-8-14-21/h3-16,19H,17-18H2,1-2H3