N-[3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]-2-(hexadecylsulfonylamino)benzamide

Systemtic Name: N-[3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]-2-(hexadecylsulfonylamino)benzamide Openeye Name: N-(3,6-dioxocyclohexa-1,4-dien-1-yl)-2-(hexadecylsulfonylamino)benzamide CAS Name: N-(3,6-dioxo-1-cyclohexa-1,4-dienyl)-2-(hexadecylsulfonylamino)benzamide IUPAC Name: N-(3,6-dioxocyclohexa-1,4-dien-1-yl)-2-(hexadecylsulfonylamino)benzamide Traditional Name: 2-(cetylsulfonylamino)-N-(3,6-diketocyclohexa-1,4-dien-1-yl)benzamide Formula: C29H42N2O5S MolecularWeight: 530.71918

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCS(=O)(=O)NC1=CC=CC=C1C(=O)NC2=CC(=O)C=CC2=O

Isomeric SMILES

CCCCCCCCCCCCCCCCS(=O)(=O)NC1=CC=CC=C1C(=O)NC2=CC(=O)C=CC2=O

InChI

InChI=1S/C29H42N2O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-22-37(35,36)31-26-19-16-15-18-25(26)29(34)30-27-23-24(32)20-21-28(27)33/h15-16,18-21,23,31H,2-14,17,22H2,1H3,(H,30,34)