(phenylmethyl) 4-[(4-nitrophenyl)sulfonyl-(4-oxidanylidene-4-phenylmethoxy-butyl)amino]butanoate

Systemtic Name: (phenylmethyl) 4-[(4-nitrophenyl)sulfonyl-(4-oxidanylidene-4-phenylmethoxy-butyl)amino]butanoate Openeye Name: benzyl 4-[(4-benzyloxy-4-oxo-butyl)-(4-nitrophenyl)sulfonyl-amino]butanoate CAS Name: 4-[(4-nitrophenyl)sulfonyl-(4-oxo-4-phenylmethoxybutyl)amino]butanoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[(4-nitrophenyl)sulfonyl-(4-oxo-4-phenylmethoxybutyl)amino]butanoate Traditional Name: 4-[(4-benzoxy-4-keto-butyl)-nosyl-amino]butyric acid benzyl ester Formula: C28H30N2O8S MolecularWeight: 554.6114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CCCN(CCCC(=O)OCC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CCCN(CCCC(=O)OCC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C28H30N2O8S/c31-27(37-21-23-9-3-1-4-10-23)13-7-19-29(39(35,36)26-17-15-25(16-18-26)30(33)34)20-8-14-28(32)38-22-24-11-5-2-6-12-24/h1-6,9-12,15-18H,7-8,13-14,19-22H2