2-morpholin-4-ylethyl 3-[3-[2-[2-methylsulfonyl-2-[4-(1-oxidanylpentyl)phenyl]hydrazinyl]ethyl]-2-nitro-phenyl]propanoate

Systemtic Name: 2-morpholin-4-ylethyl 3-[3-[2-[2-methylsulfonyl-2-[4-(1-oxidanylpentyl)phenyl]hydrazinyl]ethyl]-2-nitro-phenyl]propanoate Openeye Name: 2-morpholinoethyl 3-[3-[2-[2-[4-(1-hydroxypentyl)phenyl]-2-methylsulfonyl-hydrazino]ethyl]-2-nitro-phenyl]propanoate CAS Name: 3-[3-[2-[2-[4-(1-hydroxypentyl)phenyl]-2-methylsulfonylhydrazinyl]ethyl]-2-nitrophenyl]propanoic acid 2-(4-morpholinyl)ethyl ester IUPAC Name: 2-morpholin-4-ylethyl 3-[3-[2-[2-[4-(1-hydroxypentyl)phenyl]-2-methylsulfonylhydrazinyl]ethyl]-2-nitrophenyl]propanoate Traditional Name: 3-[3-[2-[N'-[4-(1-hydroxypentyl)phenyl]-N'-mesyl-hydrazino]ethyl]-2-nitro-phenyl]propionic acid 2-morpholinoethyl ester Formula: C29H42N4O8S MolecularWeight: 606.73078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=CC=C(C=C1)N(NCCC2=CC=CC(=C2[N+](=O)[O-])CCC(=O)OCCN3CCOCC3)S(=O)(=O)C)O

Isomeric SMILES

CCCCC(C1=CC=C(C=C1)N(NCCC2=CC=CC(=C2[N+](=O)[O-])CCC(=O)OCCN3CCOCC3)S(=O)(=O)C)O

InChI

InChI=1S/C29H42N4O8S/c1-3-4-8-27(34)23-9-12-26(13-10-23)32(42(2,38)39)30-16-15-25-7-5-6-24(29(25)33(36)37)11-14-28(35)41-22-19-31-17-20-40-21-18-31/h5-7,9-10,12-13,27,30,34H,3-4,8,11,14-22H2,1-2H3