4-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-3-nitro-benzenesulfonamide

Systemtic Name: 4-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-3-nitro-benzenesulfonamide Openeye Name: 4-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-3-nitro-benzenesulfonamide CAS Name: 4-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidinyl]-3-nitrobenzenesulfonamide IUPAC Name: 4-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-3-nitrobenzenesulfonamide Traditional Name: 4-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidino]-3-nitro-benzenesulfonamide Formula: C18H19N3O6S MolecularWeight: 405.42496

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-])C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1C[C@@H](N(C1)C2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-])C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C18H19N3O6S/c19-28(24,25)13-4-5-15(16(11-13)21(22)23)20-7-1-2-14(20)12-3-6-17-18(10-12)27-9-8-26-17/h3-6,10-11,14H,1-2,7-9H2,(H2,19,24,25)/t14-/m1/s1