2-[[(2R)-4-(phenylmethyl)morpholin-4-ium-2-yl]methoxy]-5-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: 2-[[(2R)-4-(phenylmethyl)morpholin-4-ium-2-yl]methoxy]-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: 2-[[(2R)-4-benzylmorpholin-4-ium-2-yl]methoxy]-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 2-[[(2R)-4-(phenylmethyl)-2-morpholin-4-iumyl]methoxy]-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 2-[[(2R)-4-benzylmorpholin-4-ium-2-yl]methoxy]-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: 2-[[(2R)-4-benzylmorpholin-4-ium-2-yl]methoxy]-5-pyrrolidinosulfonyl-benzamide Formula: C23H30N3O5S+ MolecularWeight: 460.5664

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OCC3C[NH+](CCO3)CC4=CC=CC=C4)C(=O)N

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OC[C@H]3C[NH+](CCO3)CC4=CC=CC=C4)C(=O)N

InChI

InChI=1S/C23H29N3O5S/c24-23(27)21-14-20(32(28,29)26-10-4-5-11-26)8-9-22(21)31-17-19-16-25(12-13-30-19)15-18-6-2-1-3-7-18/h1-3,6-9,14,19H,4-5,10-13,15-17H2,(H2,24,27)/p+1/t19-/m1/s1