N-[1-[3-(4-cyclopropylcarbonylphenoxy)propyl]pyrrolidin-1-ium-1-yl]thiophene-2-sulfonamide

Systemtic Name: N-[1-[3-(4-cyclopropylcarbonylphenoxy)propyl]pyrrolidin-1-ium-1-yl]thiophene-2-sulfonamide Openeye Name: N-[1-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl]thiophene-2-sulfonamide CAS Name: N-[1-[3-[4-[cyclopropyl(oxo)methyl]phenoxy]propyl]-1-pyrrolidin-1-iumyl]-2-thiophenesulfonamide IUPAC Name: N-[1-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl]thiophene-2-sulfonamide Traditional Name: N-[1-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl]thiophene-2-sulfonamide Formula: C21H27N2O4S2+ MolecularWeight: 435.58008

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](C1)(CCCOC2=CC=C(C=C2)C(=O)C3CC3)NS(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CC[N+](C1)(CCCOC2=CC=C(C=C2)C(=O)C3CC3)NS(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C21H27N2O4S2/c24-21(17-6-7-17)18-8-10-19(11-9-18)27-15-4-14-23(12-1-2-13-23)22-29(25,26)20-5-3-16-28-20/h3,5,8-11,16-17,22H,1-2,4,6-7,12-15H2/q+1