4-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-3-nitro-benzenesulfonamide

Systemtic Name: 4-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-3-nitro-benzenesulfonamide Openeye Name: 4-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-3-nitro-benzenesulfonamide CAS Name: 4-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]-3-nitrobenzenesulfonamide IUPAC Name: 4-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-3-nitrobenzenesulfonamide Traditional Name: 4-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidino]-3-nitro-benzenesulfonamide Formula: C19H21N3O6S MolecularWeight: 419.45154

Click to see the large picture

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)OCCCO4

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)OCCCO4

InChI

InChI=1S/C19H21N3O6S/c20-29(25,26)14-5-6-16(17(12-14)22(23)24)21-8-1-3-15(21)13-4-7-18-19(11-13)28-10-2-9-27-18/h4-7,11-12,15H,1-3,8-10H2,(H2,20,25,26)/t15-/m1/s1