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

Systemtic Name: N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-morpholin-4-ylsulfonyl-benzamide Openeye Name: N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-morpholinosulfonyl-benzamide CAS Name: N-[(2S)-2-(4-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-3-(4-morpholinylsulfonyl)benzamide IUPAC Name: N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-3-morpholin-4-ylsulfonylbenzamide Traditional Name: N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-morpholinosulfonyl-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)N3CCOCC3)[NH+]4CCCC4

Isomeric SMILES

COC1=CC=C(C=C1)[C@@H](CNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)[NH+]4CCCC4

InChI

InChI=1S/C24H31N3O5S/c1-31-21-9-7-19(8-10-21)23(26-11-2-3-12-26)18-25-24(28)20-5-4-6-22(17-20)33(29,30)27-13-15-32-16-14-27/h4-10,17,23H,2-3,11-16,18H2,1H3,(H,25,28)/p+1/t23-/m1/s1