5-chloranyl-N-[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl]-3-methyl-1-benzothiophene-2-sulfonamide

Systemtic Name: 5-chloranyl-N-[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl]-3-methyl-1-benzothiophene-2-sulfonamide Openeye Name: 5-chloro-N-[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl]-3-methyl-benzothiophene-2-sulfonamide CAS Name: 5-chloro-N-[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]-1-pyrrolidin-1-iumyl]-3-methyl-1-benzothiophene-2-sulfonamide IUPAC Name: 5-chloro-N-[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl]-3-methyl-1-benzothiophene-2-sulfonamide Traditional Name: 5-chloro-N-[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl]-3-methyl-benzothiophene-2-sulfonamide Formula: C29H29ClN3O3S2+ MolecularWeight: 567.14186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C=C(C=C2)Cl)S(=O)(=O)N[N+]3(CCCC3)CCCOC4=CC=C(C=C4)C5=CC=C(C=C5)C#N

Isomeric SMILES

CC1=C(SC2=C1C=C(C=C2)Cl)S(=O)(=O)N[N+]3(CCCC3)CCCOC4=CC=C(C=C4)C5=CC=C(C=C5)C#N

InChI

InChI=1S/C29H29ClN3O3S2/c1-21-27-19-25(30)11-14-28(27)37-29(21)38(34,35)32-33(15-2-3-16-33)17-4-18-36-26-12-9-24(10-13-26)23-7-5-22(20-31)6-8-23/h5-14,19,32H,2-4,15-18H2,1H3/q+1