3-[4-(azepan-1-ylsulfonyl)phenyl]-1-(2,6-dimethylmorpholin-4-yl)propan-1-one

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-1-(2,6-dimethylmorpholin-4-yl)propan-1-one Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-1-(2,6-dimethylmorpholin-4-yl)propan-1-one CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-1-(2,6-dimethyl-4-morpholinyl)-1-propanone IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-1-(2,6-dimethylmorpholin-4-yl)propan-1-one Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-1-(2,6-dimethylmorpholino)propan-1-one Formula: C21H32N2O4S MolecularWeight: 408.55478

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)C(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1CN(CC(O1)C)C(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H32N2O4S/c1-17-15-22(16-18(2)27-17)21(24)12-9-19-7-10-20(11-8-19)28(25,26)23-13-5-3-4-6-14-23/h7-8,10-11,17-18H,3-6,9,12-16H2,1-2H3