[2-methoxy-5-[[(2R)-1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl]azaniumyl]phenyl]-methylsulfonyl-azanide

Systemtic Name: [2-methoxy-5-[[(2R)-1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl]azaniumyl]phenyl]-methylsulfonyl-azanide Openeye Name: [2-methoxy-5-[[(1R)-1-methyl-2-oxo-2-(2-thienylmethylamino)ethyl]ammonio]phenyl]-methylsulfonyl-azanide CAS Name: [2-methoxy-5-[[(2R)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl]ammonio]phenyl]-methylsulfonylazanide IUPAC Name: [2-methoxy-5-[[(2R)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl]azaniumyl]phenyl]-methylsulfonylazanide Traditional Name: [5-[[(1R)-2-keto-1-methyl-2-(2-thenylamino)ethyl]ammonio]-2-methoxy-phenyl]-mesyl-azanide Formula: C16H21N3O4S2 MolecularWeight: 383.48564

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CS1)[NH2+]C2=CC(=C(C=C2)OC)[N-]S(=O)(=O)C

Isomeric SMILES

C[C@H](C(=O)NCC1=CC=CS1)[NH2+]C2=CC(=C(C=C2)OC)[N-]S(=O)(=O)C

InChI

InChI=1S/C16H20N3O4S2/c1-11(16(20)17-10-13-5-4-8-24-13)18-12-6-7-15(23-2)14(9-12)19-25(3,21)22/h4-9,11,18H,10H2,1-3H3,(H,17,20)/q-1/p+1/t11-/m1/s1