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

Systemtic Name: 3-(azepan-1-yl)-N-[(4-fluorophenyl)methyl]-1,4-bis(oxidanylidene)naphthalene-2-sulfonamide Openeye Name: 3-(azepan-1-yl)-N-[(4-fluorophenyl)methyl]-1,4-dioxo-naphthalene-2-sulfonamide CAS Name: 3-(1-azepanyl)-N-[(4-fluorophenyl)methyl]-1,4-dioxo-2-naphthalenesulfonamide IUPAC Name: 3-(azepan-1-yl)-N-[(4-fluorophenyl)methyl]-1,4-dioxonaphthalene-2-sulfonamide Traditional Name: 3-(azepan-1-yl)-N-(4-fluorobenzyl)-1,4-diketo-naphthalene-2-sulfonamide Formula: C23H23FN2O4S MolecularWeight: 442.503123

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C(=O)C3=CC=CC=C3C2=O)S(=O)(=O)NCC4=CC=C(C=C4)F

Isomeric SMILES

C1CCCN(CC1)C2=C(C(=O)C3=CC=CC=C3C2=O)S(=O)(=O)NCC4=CC=C(C=C4)F

InChI

InChI=1S/C23H23FN2O4S/c24-17-11-9-16(10-12-17)15-25-31(29,30)23-20(26-13-5-1-2-6-14-26)21(27)18-7-3-4-8-19(18)22(23)28/h3-4,7-12,25H,1-2,5-6,13-15H2