ethyl 6-[(4-azidophenyl)sulfonylamino]-2-(3-pyridin-3-ylpropyl)hexanoate

Systemtic Name: ethyl 6-[(4-azidophenyl)sulfonylamino]-2-(3-pyridin-3-ylpropyl)hexanoate Openeye Name: ethyl 6-[(4-azidophenyl)sulfonylamino]-2-[3-(3-pyridyl)propyl]hexanoate CAS Name: 6-[(4-azidophenyl)sulfonylamino]-2-[3-(3-pyridinyl)propyl]hexanoic acid ethyl ester IUPAC Name: ethyl 6-[(4-azidophenyl)sulfonylamino]-2-(3-pyridin-3-ylpropyl)hexanoate Traditional Name: 6-[(4-azidophenyl)sulfonylamino]-2-[3-(3-pyridyl)propyl]hexanoic acid ethyl ester Formula: C22H29N5O4S MolecularWeight: 459.56176

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCCNS(=O)(=O)C1=CC=C(C=C1)N=[N+]=[N-])CCCC2=CN=CC=C2

Isomeric SMILES

CCOC(=O)C(CCCCNS(=O)(=O)C1=CC=C(C=C1)N=[N+]=[N-])CCCC2=CN=CC=C2

InChI

InChI=1S/C22H29N5O4S/c1-2-31-22(28)19(10-5-7-18-8-6-15-24-17-18)9-3-4-16-25-32(29,30)21-13-11-20(12-14-21)26-27-23/h6,8,11-15,17,19,25H,2-5,7,9-10,16H2,1H3