[2-oxidanylidene-2-(1-phenylbutylamino)ethyl] 4-methoxy-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [2-oxidanylidene-2-(1-phenylbutylamino)ethyl] 4-methoxy-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-oxo-2-(1-phenylbutylamino)ethyl] 4-methoxy-3-morpholinosulfonyl-benzoate CAS Name: 4-methoxy-3-(4-morpholinylsulfonyl)benzoic acid [2-oxo-2-(1-phenylbutylamino)ethyl] ester IUPAC Name: [2-oxo-2-(1-phenylbutylamino)ethyl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-methoxy-3-morpholinosulfonyl-benzoic acid [2-keto-2-(1-phenylbutylamino)ethyl] ester Formula: C24H30N2O7S MolecularWeight: 490.5692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)NC(=O)COC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CCCC(C1=CC=CC=C1)NC(=O)COC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C24H30N2O7S/c1-3-7-20(18-8-5-4-6-9-18)25-23(27)17-33-24(28)19-10-11-21(31-2)22(16-19)34(29,30)26-12-14-32-15-13-26/h4-6,8-11,16,20H,3,7,12-15,17H2,1-2H3,(H,25,27)