N-[(3R)-3-(dimethylamino)-5-methoxy-3,4-dihydro-2H-chromen-8-yl]-4-propyl-benzenesulfonamide

Systemtic Name: N-[(3R)-3-(dimethylamino)-5-methoxy-3,4-dihydro-2H-chromen-8-yl]-4-propyl-benzenesulfonamide Openeye Name: N-[(3R)-3-(dimethylamino)-5-methoxy-chroman-8-yl]-4-propyl-benzenesulfonamide CAS Name: N-[(3R)-3-(dimethylamino)-5-methoxy-3,4-dihydro-2H-1-benzopyran-8-yl]-4-propylbenzenesulfonamide IUPAC Name: N-[(3R)-3-(dimethylamino)-5-methoxy-3,4-dihydro-2H-chromen-8-yl]-4-propylbenzenesulfonamide Traditional Name: N-[(3R)-3-(dimethylamino)-5-methoxy-chroman-8-yl]-4-propyl-benzenesulfonamide Formula: C21H28N2O4S MolecularWeight: 404.52302

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)NC2=C3C(=C(C=C2)OC)CC(CO3)N(C)C

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)NC2=C3C(=C(C=C2)OC)C[C@H](CO3)N(C)C

InChI

InChI=1S/C21H28N2O4S/c1-5-6-15-7-9-17(10-8-15)28(24,25)22-19-11-12-20(26-4)18-13-16(23(2)3)14-27-21(18)19/h7-12,16,22H,5-6,13-14H2,1-4H3/t16-/m1/s1