N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]-4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]-4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]-4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[(2S)-2-(4-fluorophenyl)-2-(4-morpholin-4-iumyl)ethyl]-4-methoxy-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-ylethyl]-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]-4-methoxy-3-pyrrolidinosulfonyl-benzamide Formula: C24H31FN3O5S+ MolecularWeight: 492.583443

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NCC(C2=CC=C(C=C2)F)[NH+]3CCOCC3)S(=O)(=O)N4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC[C@H](C2=CC=C(C=C2)F)[NH+]3CCOCC3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C24H30FN3O5S/c1-32-22-9-6-19(16-23(22)34(30,31)28-10-2-3-11-28)24(29)26-17-21(27-12-14-33-15-13-27)18-4-7-20(25)8-5-18/h4-9,16,21H,2-3,10-15,17H2,1H3,(H,26,29)/p+1/t21-/m1/s1