(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide

Systemtic Name: (2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide Openeye Name: (2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide CAS Name: (2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-pyrrolidinecarboxamide IUPAC Name: (2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide Traditional Name: (2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide Formula: C21H21N3O6S2 MolecularWeight: 475.53794

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCCN3S(=O)(=O)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)NC(=O)[C@H]3CCCN3S(=O)(=O)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C21H21N3O6S2/c1-28-13-4-6-15-19(11-13)31-21(22-15)23-20(25)16-3-2-8-24(16)32(26,27)14-5-7-17-18(12-14)30-10-9-29-17/h4-7,11-12,16H,2-3,8-10H2,1H3,(H,22,23,25)/t16-/m1/s1