2-oxidanylidene-N-[[(3S)-1-phenethylpyrrolidin-1-ium-3-yl]methyl]-3H-1,3-benzoxazole-6-sulfonamide

Systemtic Name: 2-oxidanylidene-N-[[(3S)-1-phenethylpyrrolidin-1-ium-3-yl]methyl]-3H-1,3-benzoxazole-6-sulfonamide Openeye Name: 2-oxo-N-[[(3S)-1-phenethylpyrrolidin-1-ium-3-yl]methyl]-3H-1,3-benzoxazole-6-sulfonamide CAS Name: 2-oxo-N-[[(3S)-1-phenethyl-3-pyrrolidin-1-iumyl]methyl]-3H-1,3-benzoxazole-6-sulfonamide IUPAC Name: 2-oxo-N-[[(3S)-1-phenethylpyrrolidin-1-ium-3-yl]methyl]-3H-1,3-benzoxazole-6-sulfonamide Traditional Name: 2-keto-N-[[(3S)-1-phenethylpyrrolidin-1-ium-3-yl]methyl]-3H-1,3-benzoxazole-6-sulfonamide Formula: C20H24N3O4S+ MolecularWeight: 402.48726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC1CNS(=O)(=O)C2=CC3=C(C=C2)NC(=O)O3)CCC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](C[C@H]1CNS(=O)(=O)C2=CC3=C(C=C2)NC(=O)O3)CCC4=CC=CC=C4

InChI

InChI=1S/C20H23N3O4S/c24-20-22-18-7-6-17(12-19(18)27-20)28(25,26)21-13-16-9-11-23(14-16)10-8-15-4-2-1-3-5-15/h1-7,12,16,21H,8-11,13-14H2,(H,22,24)/p+1/t16-/m1/s1