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

Systemtic Name: 3-(azepan-1-yl)-N-[(4-methoxyphenyl)methyl]-1,4-bis(oxidanylidene)naphthalene-2-sulfonamide Openeye Name: 3-(azepan-1-yl)-N-[(4-methoxyphenyl)methyl]-1,4-dioxo-naphthalene-2-sulfonamide CAS Name: 3-(1-azepanyl)-N-[(4-methoxyphenyl)methyl]-1,4-dioxo-2-naphthalenesulfonamide IUPAC Name: 3-(azepan-1-yl)-N-[(4-methoxyphenyl)methyl]-1,4-dioxonaphthalene-2-sulfonamide Traditional Name: 3-(azepan-1-yl)-1,4-diketo-N-p-anisyl-naphthalene-2-sulfonamide Formula: C24H26N2O5S MolecularWeight: 454.53864

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNS(=O)(=O)C2=C(C(=O)C3=CC=CC=C3C2=O)N4CCCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)CNS(=O)(=O)C2=C(C(=O)C3=CC=CC=C3C2=O)N4CCCCCC4

InChI

InChI=1S/C24H26N2O5S/c1-31-18-12-10-17(11-13-18)16-25-32(29,30)24-21(26-14-6-2-3-7-15-26)22(27)19-8-4-5-9-20(19)23(24)28/h4-5,8-13,25H,2-3,6-7,14-16H2,1H3