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

Systemtic Name: 3-(azepan-1-yl)-N-(2-fluorophenyl)-1,4-bis(oxidanylidene)naphthalene-2-sulfonamide Openeye Name: 3-(azepan-1-yl)-N-(2-fluorophenyl)-1,4-dioxo-naphthalene-2-sulfonamide CAS Name: 3-(1-azepanyl)-N-(2-fluorophenyl)-1,4-dioxo-2-naphthalenesulfonamide IUPAC Name: 3-(azepan-1-yl)-N-(2-fluorophenyl)-1,4-dioxonaphthalene-2-sulfonamide Traditional Name: 3-(azepan-1-yl)-N-(2-fluorophenyl)-1,4-diketo-naphthalene-2-sulfonamide Formula: C22H21FN2O4S MolecularWeight: 428.476543

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C(=O)C3=CC=CC=C3C2=O)S(=O)(=O)NC4=CC=CC=C4F

Isomeric SMILES

C1CCCN(CC1)C2=C(C(=O)C3=CC=CC=C3C2=O)S(=O)(=O)NC4=CC=CC=C4F

InChI

InChI=1S/C22H21FN2O4S/c23-17-11-5-6-12-18(17)24-30(28,29)22-19(25-13-7-1-2-8-14-25)20(26)15-9-3-4-10-16(15)21(22)27/h3-6,9-12,24H,1-2,7-8,13-14H2