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

Systemtic Name: 2-(azepan-1-ylsulfonyl)-3-(diethylamino)naphthalene-1,4-dione Openeye Name: 2-(azepan-1-ylsulfonyl)-3-(diethylamino)naphthalene-1,4-dione CAS Name: 2-(1-azepanylsulfonyl)-3-(diethylamino)naphthalene-1,4-dione IUPAC Name: 2-(azepan-1-ylsulfonyl)-3-(diethylamino)naphthalene-1,4-dione Traditional Name: 2-(azepan-1-ylsulfonyl)-3-(diethylamino)-1,4-naphthoquinone Formula: C20H26N2O4S MolecularWeight: 390.49644

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C(C(=O)C2=CC=CC=C2C1=O)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CCN(CC)C1=C(C(=O)C2=CC=CC=C2C1=O)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C20H26N2O4S/c1-3-21(4-2)17-18(23)15-11-7-8-12-16(15)19(24)20(17)27(25,26)22-13-9-5-6-10-14-22/h7-8,11-12H,3-6,9-10,13-14H2,1-2H3