1-[4-[(2-butyl-1-benzofuran-3-yl)sulfonyl]phenoxy]-3-(dimethylamino)propan-2-ol

Systemtic Name: 1-[4-[(2-butyl-1-benzofuran-3-yl)sulfonyl]phenoxy]-3-(dimethylamino)propan-2-ol Openeye Name: 1-[4-(2-butylbenzofuran-3-yl)sulfonylphenoxy]-3-(dimethylamino)propan-2-ol CAS Name: 1-[4-[(2-butyl-3-benzofuranyl)sulfonyl]phenoxy]-3-(dimethylamino)-2-propanol IUPAC Name: 1-[4-[(2-butyl-1-benzofuran-3-yl)sulfonyl]phenoxy]-3-(dimethylamino)propan-2-ol Traditional Name: 1-[4-(2-butylbenzofuran-3-yl)sulfonylphenoxy]-3-(dimethylamino)propan-2-ol Formula: C23H29NO5S MolecularWeight: 431.54506

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=CC=CC=C2O1)S(=O)(=O)C3=CC=C(C=C3)OCC(CN(C)C)O

Isomeric SMILES

CCCCC1=C(C2=CC=CC=C2O1)S(=O)(=O)C3=CC=C(C=C3)OCC(CN(C)C)O

InChI

InChI=1S/C23H29NO5S/c1-4-5-9-22-23(20-8-6-7-10-21(20)29-22)30(26,27)19-13-11-18(12-14-19)28-16-17(25)15-24(2)3/h6-8,10-14,17,25H,4-5,9,15-16H2,1-3H3