[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-[(2S)-2-ethylmorpholin-4-yl]methanone

Systemtic Name: [5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-[(2S)-2-ethylmorpholin-4-yl]methanone Openeye Name: [5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-[(2S)-2-ethylmorpholin-4-yl]methanone CAS Name: [5-(1-azepanylsulfonyl)-2-methoxyphenyl]-[(2S)-2-ethyl-4-morpholinyl]methanone IUPAC Name: [5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-[(2S)-2-ethylmorpholin-4-yl]methanone Traditional Name: [5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-[(2S)-2-ethylmorpholino]methanone Formula: C20H30N2O5S MolecularWeight: 410.5276

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(CCO1)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H30N2O5S/c1-3-16-15-21(12-13-27-16)20(23)18-14-17(8-9-19(18)26-2)28(24,25)22-10-6-4-5-7-11-22/h8-9,14,16H,3-7,10-13,15H2,1-2H3/t16-/m0/s1