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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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