N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-3-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[(2R)-2-(4-methoxyphenyl)-2-(4-morpholin-4-iumyl)ethyl]-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-ylethyl]-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-3-pyrrolidinosulfonyl-benzamide Formula: C24H32N3O5S+ MolecularWeight: 474.59298

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3)[NH+]4CCOCC4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3)[NH+]4CCOCC4

InChI

InChI=1S/C24H31N3O5S/c1-31-21-9-7-19(8-10-21)23(26-13-15-32-16-14-26)18-25-24(28)20-5-4-6-22(17-20)33(29,30)27-11-2-3-12-27/h4-10,17,23H,2-3,11-16,18H2,1H3,(H,25,28)/p+1/t23-/m0/s1