(2S)-1-(4-methoxyphenyl)sulfonyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]pyrrolidine-2-carboxamide

Systemtic Name: (2S)-1-(4-methoxyphenyl)sulfonyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]pyrrolidine-2-carboxamide Openeye Name: (2S)-N-(1-benzylpiperidin-1-ium-4-yl)-1-(4-methoxyphenyl)sulfonyl-pyrrolidine-2-carboxamide CAS Name: (2S)-1-(4-methoxyphenyl)sulfonyl-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-(1-benzylpiperidin-1-ium-4-yl)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide Traditional Name: (2S)-N-(1-benzylpiperidin-1-ium-4-yl)-1-(4-methoxyphenyl)sulfonyl-pyrrolidine-2-carboxamide Formula: C24H32N3O4S+ MolecularWeight: 458.59358

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2C(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H31N3O4S/c1-31-21-9-11-22(12-10-21)32(29,30)27-15-5-8-23(27)24(28)25-20-13-16-26(17-14-20)18-19-6-3-2-4-7-19/h2-4,6-7,9-12,20,23H,5,8,13-18H2,1H3,(H,25,28)/p+1/t23-/m0/s1