2-[(4-chloranyl-3-nitro-phenyl)sulfonyl-(3-methylbutyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)ethanamide

Systemtic Name: 2-[(4-chloranyl-3-nitro-phenyl)sulfonyl-(3-methylbutyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)ethanamide Openeye Name: 2-[(4-chloro-3-nitro-phenyl)sulfonyl-isopentyl-amino]-N-(5-methylisoxazol-3-yl)acetamide CAS Name: 2-[(4-chloro-3-nitrophenyl)sulfonyl-(3-methylbutyl)amino]-N-(5-methyl-3-isoxazolyl)acetamide IUPAC Name: 2-[(4-chloro-3-nitrophenyl)sulfonyl-(3-methylbutyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide Traditional Name: 2-[(4-chloro-3-nitro-phenyl)sulfonyl-isoamyl-amino]-N-(5-methylisoxazol-3-yl)acetamide Formula: C17H21ClN4O6S MolecularWeight: 444.88984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)CN(CCC(C)C)S(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NO1)NC(=O)CN(CCC(C)C)S(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H21ClN4O6S/c1-11(2)6-7-21(10-17(23)19-16-8-12(3)28-20-16)29(26,27)13-4-5-14(18)15(9-13)22(24)25/h4-5,8-9,11H,6-7,10H2,1-3H3,(H,19,20,23)