[3-nitro-4-(phenylsulfonyl)phenyl] 2-[[2-hydroxyethyl(phenethyl)carbamoyl]amino]propanoate

Systemtic Name: [3-nitro-4-(phenylsulfonyl)phenyl] 2-[[2-hydroxyethyl(phenethyl)carbamoyl]amino]propanoate Openeye Name: [4-(benzenesulfonyl)-3-nitro-phenyl] 2-[[2-hydroxyethyl(phenethyl)carbamoyl]amino]propanoate CAS Name: 2-[[[2-hydroxyethyl(phenethyl)amino]-oxomethyl]amino]propanoic acid [4-(benzenesulfonyl)-3-nitrophenyl] ester IUPAC Name: [4-(benzenesulfonyl)-3-nitrophenyl] 2-[[2-hydroxyethyl(phenethyl)carbamoyl]amino]propanoate Traditional Name: 2-[[2-hydroxyethyl(phenethyl)carbamoyl]amino]propionic acid (4-besyl-3-nitro-phenyl) ester Formula: C26H27N3O8S MolecularWeight: 541.57288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC1=CC(=C(C=C1)S(=O)(=O)C2=CC=CC=C2)[N+](=O)[O-])NC(=O)N(CCC3=CC=CC=C3)CCO

Isomeric SMILES

CC(C(=O)OC1=CC(=C(C=C1)S(=O)(=O)C2=CC=CC=C2)[N+](=O)[O-])NC(=O)N(CCC3=CC=CC=C3)CCO

InChI

InChI=1S/C26H27N3O8S/c1-19(27-26(32)28(16-17-30)15-14-20-8-4-2-5-9-20)25(31)37-21-12-13-24(23(18-21)29(33)34)38(35,36)22-10-6-3-7-11-22/h2-13,18-19,30H,14-17H2,1H3,(H,27,32)