(3R)-1-[2-[(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-phenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3R)-1-[2-[(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-phenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxamide Openeye Name: (3R)-1-[2-(5-morpholinosulfonyl-2-pyrrolidin-1-yl-anilino)-2-oxo-ethyl]piperidin-1-ium-3-carboxamide CAS Name: (3R)-1-[2-[5-(4-morpholinylsulfonyl)-2-(1-pyrrolidinyl)anilino]-2-oxoethyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3R)-1-[2-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)-2-oxoethyl]piperidin-1-ium-3-carboxamide Traditional Name: (3R)-1-[2-keto-2-(5-morpholinosulfonyl-2-pyrrolidino-anilino)ethyl]piperidin-1-ium-3-carboxamide Formula: C22H34N5O5S+ MolecularWeight: 480.60086

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)C[NH+]4CCCC(C4)C(=O)N

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)C[NH+]4CCC[C@H](C4)C(=O)N

InChI

InChI=1S/C22H33N5O5S/c23-22(29)17-4-3-7-25(15-17)16-21(28)24-19-14-18(5-6-20(19)26-8-1-2-9-26)33(30,31)27-10-12-32-13-11-27/h5-6,14,17H,1-4,7-13,15-16H2,(H2,23,29)(H,24,28)/p+1/t17-/m1/s1