N-[(2R)-3-methyl-2-morpholin-4-ium-4-yl-butyl]-3-(2-oxidanylidene-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)propanamide

Systemtic Name: N-[(2R)-3-methyl-2-morpholin-4-ium-4-yl-butyl]-3-(2-oxidanylidene-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)propanamide Openeye Name: N-[(2R)-3-methyl-2-morpholin-4-ium-4-yl-butyl]-3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)propanamide CAS Name: N-[(2R)-3-methyl-2-(4-morpholin-4-iumyl)butyl]-3-[2-oxo-6-(1-pyrrolidinylsulfonyl)-1,3-benzoxazol-3-yl]propanamide IUPAC Name: N-[(2R)-3-methyl-2-morpholin-4-ium-4-ylbutyl]-3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)propanamide Traditional Name: 3-(2-keto-6-pyrrolidinosulfonyl-1,3-benzoxazol-3-yl)-N-[(2R)-3-methyl-2-morpholin-4-ium-4-yl-butyl]propionamide Formula: C23H35N4O6S+ MolecularWeight: 495.6122

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CNC(=O)CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)OC1=O)[NH+]4CCOCC4

Isomeric SMILES

CC(C)[C@H](CNC(=O)CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)OC1=O)[NH+]4CCOCC4

InChI

InChI=1S/C23H34N4O6S/c1-17(2)20(25-11-13-32-14-12-25)16-24-22(28)7-10-27-19-6-5-18(15-21(19)33-23(27)29)34(30,31)26-8-3-4-9-26/h5-6,15,17,20H,3-4,7-14,16H2,1-2H3,(H,24,28)/p+1/t20-/m0/s1