3-[(3-fluoranyl-4-methyl-phenyl)sulfonylamino]-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]benzamide

Systemtic Name: 3-[(3-fluoranyl-4-methyl-phenyl)sulfonylamino]-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]benzamide Openeye Name: 3-[(3-fluoro-4-methyl-phenyl)sulfonylamino]-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]benzamide CAS Name: 3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-[(2R)-2-(4-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]benzamide IUPAC Name: 3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]benzamide Traditional Name: 3-[(3-fluoro-4-methyl-phenyl)sulfonylamino]-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]benzamide Formula: C27H31FN3O4S+ MolecularWeight: 512.616143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C(=O)NCC(C3=CC=C(C=C3)OC)[NH+]4CCCC4)F

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C(=O)NC[C@@H](C3=CC=C(C=C3)OC)[NH+]4CCCC4)F

InChI

InChI=1S/C27H30FN3O4S/c1-19-8-13-24(17-25(19)28)36(33,34)30-22-7-5-6-21(16-22)27(32)29-18-26(31-14-3-4-15-31)20-9-11-23(35-2)12-10-20/h5-13,16-17,26,30H,3-4,14-15,18H2,1-2H3,(H,29,32)/p+1/t26-/m0/s1