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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NS(=O)(=O)C2=C(C(=O)C3=CC=CC=C3C2=O)N4CCC(CC4)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NS(=O)(=O)C2=C(C(=O)C3=CC=CC=C3C2=O)N4CCC(CC4)C

InChI

InChI=1S/C26H30N2O4S/c1-3-4-7-19-10-12-20(13-11-19)27-33(31,32)26-23(28-16-14-18(2)15-17-28)24(29)21-8-5-6-9-22(21)25(26)30/h5-6,8-13,18,27H,3-4,7,14-17H2,1-2H3