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

Systemtic Name: 2-[(2R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)pyrrolidin-2-yl]-1,3-benzothiazole Openeye Name: 2-[(2R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)pyrrolidin-2-yl]-1,3-benzothiazole CAS Name: 2-[(2R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-2-pyrrolidinyl]-1,3-benzothiazole IUPAC Name: 2-[(2R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)pyrrolidin-2-yl]-1,3-benzothiazole Traditional Name: 2-[(2R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)pyrrolidin-2-yl]-1,3-benzothiazole Formula: C20H20N2O4S2 MolecularWeight: 416.5138

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1C[C@@H](N(C1)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C20H20N2O4S2/c23-28(24,14-8-9-17-18(13-14)26-12-4-11-25-17)22-10-3-6-16(22)20-21-15-5-1-2-7-19(15)27-20/h1-2,5,7-9,13,16H,3-4,6,10-12H2/t16-/m1/s1