N-[(2R)-4-methyl-2-pyrrolidin-1-ium-1-yl-pentyl]-3-oxidanylidene-4H-1,4-benzoxazine-6-sulfonamide

Systemtic Name: N-[(2R)-4-methyl-2-pyrrolidin-1-ium-1-yl-pentyl]-3-oxidanylidene-4H-1,4-benzoxazine-6-sulfonamide Openeye Name: N-[(2R)-4-methyl-2-pyrrolidin-1-ium-1-yl-pentyl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide CAS Name: N-[(2R)-4-methyl-2-(1-pyrrolidin-1-iumyl)pentyl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide IUPAC Name: N-[(2R)-4-methyl-2-pyrrolidin-1-ium-1-ylpentyl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide Traditional Name: 3-keto-N-[(2R)-4-methyl-2-pyrrolidin-1-ium-1-yl-pentyl]-4H-1,4-benzoxazine-6-sulfonamide Formula: C18H28N3O4S+ MolecularWeight: 382.49762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CNS(=O)(=O)C1=CC2=C(C=C1)OCC(=O)N2)[NH+]3CCCC3

Isomeric SMILES

CC(C)C[C@H](CNS(=O)(=O)C1=CC2=C(C=C1)OCC(=O)N2)[NH+]3CCCC3

InChI

InChI=1S/C18H27N3O4S/c1-13(2)9-14(21-7-3-4-8-21)11-19-26(23,24)15-5-6-17-16(10-15)20-18(22)12-25-17/h5-6,10,13-14,19H,3-4,7-9,11-12H2,1-2H3,(H,20,22)/p+1/t14-/m1/s1