ethyl 4-[(5-azido-4-oxidanyl-pentyl)-(4-methylphenyl)sulfonyl-amino]benzoate

Systemtic Name: ethyl 4-[(5-azido-4-oxidanyl-pentyl)-(4-methylphenyl)sulfonyl-amino]benzoate Openeye Name: ethyl 4-[(5-azido-4-hydroxy-pentyl)-(p-tolylsulfonyl)amino]benzoate CAS Name: 4-[(5-azido-4-hydroxypentyl)-(4-methylphenyl)sulfonylamino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(5-azido-4-hydroxypentyl)-(4-methylphenyl)sulfonylamino]benzoate Traditional Name: 4-[(5-azido-4-hydroxy-pentyl)-tosyl-amino]benzoic acid ethyl ester Formula: C21H26N4O5S MolecularWeight: 446.51994

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N(CCCC(CN=[N+]=[N-])O)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N(CCCC(CN=[N+]=[N-])O)S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C21H26N4O5S/c1-3-30-21(27)17-8-10-18(11-9-17)25(14-4-5-19(26)15-23-24-22)31(28,29)20-12-6-16(2)7-13-20/h6-13,19,26H,3-5,14-15H2,1-2H3