3-[4-(azepan-1-ylsulfonyl)phenyl]-1-[(2S)-2-methylmorpholin-4-yl]propan-1-one

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-1-[(2S)-2-methylmorpholin-4-yl]propan-1-one Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-1-[(2S)-2-methylmorpholin-4-yl]propan-1-one CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-1-[(2S)-2-methyl-4-morpholinyl]-1-propanone IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-1-[(2S)-2-methylmorpholin-4-yl]propan-1-one Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-1-[(2S)-2-methylmorpholino]propan-1-one Formula: C20H30N2O4S MolecularWeight: 394.5282

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCO1)C(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

C[C@H]1CN(CCO1)C(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C20H30N2O4S/c1-17-16-21(14-15-26-17)20(23)11-8-18-6-9-19(10-7-18)27(24,25)22-12-4-2-3-5-13-22/h6-7,9-10,17H,2-5,8,11-16H2,1H3/t17-/m0/s1