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

Systemtic Name: 3-methyl-2-oxidanylidene-N-[[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-1-ium-3-yl]methyl]-1,3-benzoxazole-6-sulfonamide Openeye Name: 3-methyl-2-oxo-N-[[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-1-ium-3-yl]methyl]-1,3-benzoxazole-6-sulfonamide CAS Name: 3-methyl-2-oxo-N-[[(3S)-1-[(1S)-1-phenylethyl]-3-pyrrolidin-1-iumyl]methyl]-1,3-benzoxazole-6-sulfonamide IUPAC Name: 3-methyl-2-oxo-N-[[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-1-ium-3-yl]methyl]-1,3-benzoxazole-6-sulfonamide Traditional Name: 2-keto-3-methyl-N-[[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-1-ium-3-yl]methyl]-1,3-benzoxazole-6-sulfonamide Formula: C21H26N3O4S+ MolecularWeight: 416.51384

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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)N(C(=O)O4)C

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O4S/c1-15(17-6-4-3-5-7-17)24-11-10-16(14-24)13-22-29(26,27)18-8-9-19-20(12-18)28-21(25)23(19)2/h3-9,12,15-16,22H,10-11,13-14H2,1-2H3/p+1/t15-,16+/m0/s1