3-chloranyl-N-[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl]-4-methyl-benzenesulfonamide

Systemtic Name: 3-chloranyl-N-[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl]-4-methyl-benzenesulfonamide Openeye Name: 3-chloro-N-[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl]-4-methyl-benzenesulfonamide CAS Name: 3-chloro-N-[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]-1-pyrrolidin-1-iumyl]-4-methylbenzenesulfonamide IUPAC Name: 3-chloro-N-[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl]-4-methylbenzenesulfonamide Traditional Name: 3-chloro-N-[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl]-4-methyl-benzenesulfonamide Formula: C27H29ClN3O3S+ MolecularWeight: 511.05546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N[N+]2(CCCC2)CCCOC3=CC=C(C=C3)C4=CC=C(C=C4)C#N)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N[N+]2(CCCC2)CCCOC3=CC=C(C=C3)C4=CC=C(C=C4)C#N)Cl

InChI

InChI=1S/C27H29ClN3O3S/c1-21-5-14-26(19-27(21)28)35(32,33)30-31(15-2-3-16-31)17-4-18-34-25-12-10-24(11-13-25)23-8-6-22(20-29)7-9-23/h5-14,19,30H,2-4,15-18H2,1H3/q+1