(2S)-N-(1,3-benzodioxol-5-ylmethyl)-1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)pyrrolidine-2-carboxamide Openeye Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)pyrrolidine-2-carboxamide CAS Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-1-(4-methyl-7-methylsulfonyl-2-quinazolinyl)-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-1-(4-methyl-7-methylsulfonylquinazolin-2-yl)pyrrolidine-2-carboxamide Traditional Name: (2S)-1-(7-mesyl-4-methyl-quinazolin-2-yl)-N-piperonyl-pyrrolidine-2-carboxamide Formula: C23H24N4O5S MolecularWeight: 468.52546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC2=C1C=CC(=C2)S(=O)(=O)C)N3CCCC3C(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=NC(=NC2=C1C=CC(=C2)S(=O)(=O)C)N3CCC[C@H]3C(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H24N4O5S/c1-14-17-7-6-16(33(2,29)30)11-18(17)26-23(25-14)27-9-3-4-19(27)22(28)24-12-15-5-8-20-21(10-15)32-13-31-20/h5-8,10-11,19H,3-4,9,12-13H2,1-2H3,(H,24,28)/t19-/m0/s1