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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)[NH+]2CCC(C2)CNS(=O)(=O)C3=CC4=C(C=C3)NC(=O)O4

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)[NH+]2CC[C@@H](C2)CNS(=O)(=O)C3=CC4=C(C=C3)NC(=O)O4

InChI

InChI=1S/C20H23N3O4S/c1-14(16-5-3-2-4-6-16)23-10-9-15(13-23)12-21-28(25,26)17-7-8-18-19(11-17)27-20(24)22-18/h2-8,11,14-15,21H,9-10,12-13H2,1H3,(H,22,24)/p+1/t14-,15+/m0/s1