N-(2-tert-butyl-1,3-benzoxazol-5-yl)-1-(phenylsulfonyl)pyrrolidine-2-carboxamide

Systemtic Name: N-(2-tert-butyl-1,3-benzoxazol-5-yl)-1-(phenylsulfonyl)pyrrolidine-2-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-(2-tert-butyl-1,3-benzoxazol-5-yl)pyrrolidine-2-carboxamide CAS Name: 1-(benzenesulfonyl)-N-(2-tert-butyl-1,3-benzoxazol-5-yl)-2-pyrrolidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-(2-tert-butyl-1,3-benzoxazol-5-yl)pyrrolidine-2-carboxamide Traditional Name: 1-besyl-N-(2-tert-butyl-1,3-benzoxazol-5-yl)pyrrolidine-2-carboxamide Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC2=C(O1)C=CC(=C2)NC(=O)C3CCCN3S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=NC2=C(O1)C=CC(=C2)NC(=O)C3CCCN3S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H25N3O4S/c1-22(2,3)21-24-17-14-15(11-12-19(17)29-21)23-20(26)18-10-7-13-25(18)30(27,28)16-8-5-4-6-9-16/h4-6,8-9,11-12,14,18H,7,10,13H2,1-3H3,(H,23,26)