7-[(3S)-3-isothiocyanatopyrrolidin-1-yl]-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide

Systemtic Name: 7-[(3S)-3-isothiocyanatopyrrolidin-1-yl]-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide Openeye Name: 7-[(3S)-3-isothiocyanatopyrrolidin-1-yl]-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide CAS Name: 7-[(3S)-3-isothiocyanato-1-pyrrolidinyl]-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide IUPAC Name: 7-[(3S)-3-isothiocyanatopyrrolidin-1-yl]-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide Traditional Name: 7-[(3S)-3-isothiocyanatopyrrolidino]-N,N-dimethyl-benzofurazan-4-sulfonamide Formula: C13H15N5O3S2 MolecularWeight: 353.4199

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=C(C2=NON=C12)N3CCC(C3)N=C=S

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=C(C2=NON=C12)N3CC[C@@H](C3)N=C=S

InChI

InChI=1S/C13H15N5O3S2/c1-17(2)23(19,20)11-4-3-10(12-13(11)16-21-15-12)18-6-5-9(7-18)14-8-22/h3-4,9H,5-7H2,1-2H3/t9-/m0/s1