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

Systemtic Name: 3-(azepan-1-yl)-N-(4-butylphenyl)-1,4-bis(oxidanylidene)naphthalene-2-sulfonamide Openeye Name: 3-(azepan-1-yl)-N-(4-butylphenyl)-1,4-dioxo-naphthalene-2-sulfonamide CAS Name: 3-(1-azepanyl)-N-(4-butylphenyl)-1,4-dioxo-2-naphthalenesulfonamide IUPAC Name: 3-(azepan-1-yl)-N-(4-butylphenyl)-1,4-dioxonaphthalene-2-sulfonamide Traditional Name: 3-(azepan-1-yl)-N-(4-butylphenyl)-1,4-diketo-naphthalene-2-sulfonamide Formula: C26H30N2O4S MolecularWeight: 466.5924

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NS(=O)(=O)C2=C(C(=O)C3=CC=CC=C3C2=O)N4CCCCCC4

Isomeric SMILES

CCCCC1=CC=C(C=C1)NS(=O)(=O)C2=C(C(=O)C3=CC=CC=C3C2=O)N4CCCCCC4

InChI

InChI=1S/C26H30N2O4S/c1-2-3-10-19-13-15-20(16-14-19)27-33(31,32)26-23(28-17-8-4-5-9-18-28)24(29)21-11-6-7-12-22(21)25(26)30/h6-7,11-16,27H,2-5,8-10,17-18H2,1H3