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

Systemtic Name: N-[(2R)-3-ethyl-2-morpholin-4-ium-4-yl-pentyl]-4-pyrrolidin-1-ylsulfonyl-benzenesulfonamide Openeye Name: N-[(2R)-3-ethyl-2-morpholin-4-ium-4-yl-pentyl]-4-pyrrolidin-1-ylsulfonyl-benzenesulfonamide CAS Name: N-[(2R)-3-ethyl-2-(4-morpholin-4-iumyl)pentyl]-4-(1-pyrrolidinylsulfonyl)benzenesulfonamide IUPAC Name: N-[(2R)-3-ethyl-2-morpholin-4-ium-4-ylpentyl]-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide Traditional Name: N-[(2R)-3-ethyl-2-morpholin-4-ium-4-yl-pentyl]-4-pyrrolidinosulfonyl-benzenesulfonamide Formula: C21H36N3O5S2+ MolecularWeight: 474.65764

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(CNS(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCC2)[NH+]3CCOCC3

Isomeric SMILES

CCC(CC)[C@H](CNS(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCC2)[NH+]3CCOCC3

InChI

InChI=1S/C21H35N3O5S2/c1-3-18(4-2)21(23-13-15-29-16-14-23)17-22-30(25,26)19-7-9-20(10-8-19)31(27,28)24-11-5-6-12-24/h7-10,18,21-22H,3-6,11-17H2,1-2H3/p+1/t21-/m0/s1