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

Systemtic Name: (2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(2-methyl-1,3-benzothiazol-6-yl)pyrrolidine-2-carboxamide Openeye Name: (2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(2-methyl-1,3-benzothiazol-6-yl)pyrrolidine-2-carboxamide CAS Name: (2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(2-methyl-1,3-benzothiazol-6-yl)-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(2-methyl-1,3-benzothiazol-6-yl)pyrrolidine-2-carboxamide Traditional Name: (2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(2-methyl-1,3-benzothiazol-6-yl)pyrrolidine-2-carboxamide Formula: C21H21N3O5S2 MolecularWeight: 459.53854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C=C2)NC(=O)C3CCCN3S(=O)(=O)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)NC(=O)[C@@H]3CCCN3S(=O)(=O)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C21H21N3O5S2/c1-13-22-16-6-4-14(11-20(16)30-13)23-21(25)17-3-2-8-24(17)31(26,27)15-5-7-18-19(12-15)29-10-9-28-18/h4-7,11-12,17H,2-3,8-10H2,1H3,(H,23,25)/t17-/m0/s1