N-[2-(3-oxidanylpyrrolidin-1-yl)-1-phenyl-ethyl]-6-(propylsulfonylamino)-3,4-dihydro-2H-chromene-2-carboxamide

Systemtic Name: N-[2-(3-oxidanylpyrrolidin-1-yl)-1-phenyl-ethyl]-6-(propylsulfonylamino)-3,4-dihydro-2H-chromene-2-carboxamide Openeye Name: N-[2-(3-hydroxypyrrolidin-1-yl)-1-phenyl-ethyl]-6-(propylsulfonylamino)chromane-2-carboxamide CAS Name: N-[2-(3-hydroxy-1-pyrrolidinyl)-1-phenylethyl]-6-(propylsulfonylamino)-3,4-dihydro-2H-1-benzopyran-2-carboxamide IUPAC Name: N-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-6-(propylsulfonylamino)-3,4-dihydro-2H-chromene-2-carboxamide Traditional Name: N-[2-(3-hydroxypyrrolidino)-1-phenyl-ethyl]-6-(propylsulfonylamino)chroman-2-carboxamide Formula: C25H33N3O5S MolecularWeight: 487.61162

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)NC1=CC2=C(C=C1)OC(CC2)C(=O)NC(CN3CCC(C3)O)C4=CC=CC=C4

Isomeric SMILES

CCCS(=O)(=O)NC1=CC2=C(C=C1)OC(CC2)C(=O)NC(CN3CCC(C3)O)C4=CC=CC=C4

InChI

InChI=1S/C25H33N3O5S/c1-2-14-34(31,32)27-20-9-11-23-19(15-20)8-10-24(33-23)25(30)26-22(18-6-4-3-5-7-18)17-28-13-12-21(29)16-28/h3-7,9,11,15,21-22,24,27,29H,2,8,10,12-14,16-17H2,1H3,(H,26,30)