2-(azepan-1-ylsulfonyl)-3-morpholin-4-yl-naphthalene-1,4-dione

Systemtic Name: 2-(azepan-1-ylsulfonyl)-3-morpholin-4-yl-naphthalene-1,4-dione Openeye Name: 2-(azepan-1-ylsulfonyl)-3-morpholino-naphthalene-1,4-dione CAS Name: 2-(1-azepanylsulfonyl)-3-(4-morpholinyl)naphthalene-1,4-dione IUPAC Name: 2-(azepan-1-ylsulfonyl)-3-morpholin-4-ylnaphthalene-1,4-dione Traditional Name: 2-(azepan-1-ylsulfonyl)-3-morpholino-1,4-naphthoquinone Formula: C20H24N2O5S MolecularWeight: 404.47996

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=C(C(=O)C3=CC=CC=C3C2=O)N4CCOCC4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=C(C(=O)C3=CC=CC=C3C2=O)N4CCOCC4

InChI

InChI=1S/C20H24N2O5S/c23-18-15-7-3-4-8-16(15)19(24)20(17(18)21-11-13-27-14-12-21)28(25,26)22-9-5-1-2-6-10-22/h3-4,7-8H,1-2,5-6,9-14H2