2-(cyanomethyl)-N-(2-tetradecoxyphenyl)benzo[e][1,3]benzoxazole-7-sulfonamide

Systemtic Name: 2-(cyanomethyl)-N-(2-tetradecoxyphenyl)benzo[e][1,3]benzoxazole-7-sulfonamide Openeye Name: 2-(cyanomethyl)-N-(2-tetradecoxyphenyl)benzo[e][1,3]benzoxazole-7-sulfonamide CAS Name: 2-(cyanomethyl)-N-(2-tetradecoxyphenyl)-7-benzo[e][1,3]benzoxazolesulfonamide IUPAC Name: 2-(cyanomethyl)-N-(2-tetradecoxyphenyl)benzo[e][1,3]benzoxazole-7-sulfonamide Traditional Name: 2-(cyanomethyl)-N-(2-myristyloxyphenyl)benzo[e][1,3]benzoxazole-7-sulfonamide Formula: C33H41N3O4S MolecularWeight: 575.76134

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=CC=CC=C1NS(=O)(=O)C2=CC3=C(C=C2)C4=C(C=C3)OC(=N4)CC#N

Isomeric SMILES

CCCCCCCCCCCCCCOC1=CC=CC=C1NS(=O)(=O)C2=CC3=C(C=C2)C4=C(C=C3)OC(=N4)CC#N

InChI

InChI=1S/C33H41N3O4S/c1-2-3-4-5-6-7-8-9-10-11-12-15-24-39-30-17-14-13-16-29(30)36-41(37,38)27-19-20-28-26(25-27)18-21-31-33(28)35-32(40-31)22-23-34/h13-14,16-21,25,36H,2-12,15,22,24H2,1H3