ethyl 2-[(5-chloranyl-2-nitro-phenyl)sulfonyl-(3-methylbut-2-enyl)amino]propanoate

Systemtic Name: ethyl 2-[(5-chloranyl-2-nitro-phenyl)sulfonyl-(3-methylbut-2-enyl)amino]propanoate Openeye Name: ethyl 2-[(5-chloro-2-nitro-phenyl)sulfonyl-(3-methylbut-2-enyl)amino]propanoate CAS Name: 2-[(5-chloro-2-nitrophenyl)sulfonyl-(3-methylbut-2-enyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 2-[(5-chloro-2-nitrophenyl)sulfonyl-(3-methylbut-2-enyl)amino]propanoate Traditional Name: 2-[(5-chloro-2-nitro-phenyl)sulfonyl-(3-methylbut-2-enyl)amino]propionic acid ethyl ester Formula: C16H21ClN2O6S MolecularWeight: 404.86574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)N(CC=C(C)C)S(=O)(=O)C1=C(C=CC(=C1)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C(C)N(CC=C(C)C)S(=O)(=O)C1=C(C=CC(=C1)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H21ClN2O6S/c1-5-25-16(20)12(4)18(9-8-11(2)3)26(23,24)15-10-13(17)6-7-14(15)19(21)22/h6-8,10,12H,5,9H2,1-4H3