3-methyl-2-oxidanyl-5-[[8-(tridecanoylamino)naphthalen-1-yl]sulfonylamino]benzamide

Systemtic Name: 3-methyl-2-oxidanyl-5-[[8-(tridecanoylamino)naphthalen-1-yl]sulfonylamino]benzamide Openeye Name: 2-hydroxy-3-methyl-5-[[8-(tridecanoylamino)-1-naphthyl]sulfonylamino]benzamide CAS Name: 2-hydroxy-3-methyl-5-[[8-(1-oxotridecylamino)-1-naphthalenyl]sulfonylamino]benzamide IUPAC Name: 2-hydroxy-3-methyl-5-[[8-(tridecanoylamino)naphthalen-1-yl]sulfonylamino]benzamide Traditional Name: 2-hydroxy-3-methyl-5-[[8-(tridecanoylamino)-1-naphthyl]sulfonylamino]benzamide Formula: C31H41N3O5S MolecularWeight: 567.73934

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(=O)NC1=CC=CC2=C1C(=CC=C2)S(=O)(=O)NC3=CC(=C(C(=C3)C(=O)N)O)C

Isomeric SMILES

CCCCCCCCCCCCC(=O)NC1=CC=CC2=C1C(=CC=C2)S(=O)(=O)NC3=CC(=C(C(=C3)C(=O)N)O)C

InChI

InChI=1S/C31H41N3O5S/c1-3-4-5-6-7-8-9-10-11-12-19-28(35)33-26-17-13-15-23-16-14-18-27(29(23)26)40(38,39)34-24-20-22(2)30(36)25(21-24)31(32)37/h13-18,20-21,34,36H,3-12,19H2,1-2H3,(H2,32,37)(H,33,35)