(3S)-1-[2-tert-butyl-1-(oxan-4-ylmethyl)benzimidazol-5-yl]sulfonyl-N-cyclopropyl-pyrrolidine-3-carboxamide

Systemtic Name: (3S)-1-[2-tert-butyl-1-(oxan-4-ylmethyl)benzimidazol-5-yl]sulfonyl-N-cyclopropyl-pyrrolidine-3-carboxamide Openeye Name: (3S)-1-[2-tert-butyl-1-(tetrahydropyran-4-ylmethyl)benzimidazol-5-yl]sulfonyl-N-cyclopropyl-pyrrolidine-3-carboxamide CAS Name: (3S)-1-[[2-tert-butyl-1-(4-oxanylmethyl)-5-benzimidazolyl]sulfonyl]-N-cyclopropyl-3-pyrrolidinecarboxamide IUPAC Name: (3S)-1-[2-tert-butyl-1-(oxan-4-ylmethyl)benzimidazol-5-yl]sulfonyl-N-cyclopropylpyrrolidine-3-carboxamide Traditional Name: (3S)-1-[2-tert-butyl-1-(tetrahydropyran-4-ylmethyl)benzimidazol-5-yl]sulfonyl-N-cyclopropyl-pyrrolidine-3-carboxamide Formula: C25H36N4O4S MolecularWeight: 488.64274

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC2=C(N1CC3CCOCC3)C=CC(=C2)S(=O)(=O)N4CCC(C4)C(=O)NC5CC5

Isomeric SMILES

CC(C)(C)C1=NC2=C(N1CC3CCOCC3)C=CC(=C2)S(=O)(=O)N4CC[C@@H](C4)C(=O)NC5CC5

InChI

InChI=1S/C25H36N4O4S/c1-25(2,3)24-27-21-14-20(6-7-22(21)29(24)15-17-9-12-33-13-10-17)34(31,32)28-11-8-18(16-28)23(30)26-19-4-5-19/h6-7,14,17-19H,4-5,8-13,15-16H2,1-3H3,(H,26,30)/t18-/m0/s1