3-(azepan-1-yl)-N,N-diethyl-1,4-bis(oxidanylidene)naphthalene-2-sulfonamide

Systemtic Name: 3-(azepan-1-yl)-N,N-diethyl-1,4-bis(oxidanylidene)naphthalene-2-sulfonamide Openeye Name: 3-(azepan-1-yl)-N,N-diethyl-1,4-dioxo-naphthalene-2-sulfonamide CAS Name: 3-(1-azepanyl)-N,N-diethyl-1,4-dioxo-2-naphthalenesulfonamide IUPAC Name: 3-(azepan-1-yl)-N,N-diethyl-1,4-dioxonaphthalene-2-sulfonamide Traditional Name: 3-(azepan-1-yl)-N,N-diethyl-1,4-diketo-naphthalene-2-sulfonamide Formula: C20H26N2O4S MolecularWeight: 390.49644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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