octyl 3-oxidanyl-2-[[4-oxidanylidene-4-[(4-sulfamoylphenyl)amino]butanoyl]amino]-3-phenyl-propanoate

Systemtic Name: octyl 3-oxidanyl-2-[[4-oxidanylidene-4-[(4-sulfamoylphenyl)amino]butanoyl]amino]-3-phenyl-propanoate Openeye Name: octyl 3-hydroxy-2-[[4-oxo-4-(4-sulfamoylanilino)butanoyl]amino]-3-phenyl-propanoate CAS Name: 2-[[1,4-dioxo-4-(4-sulfamoylanilino)butyl]amino]-3-hydroxy-3-phenylpropanoic acid octyl ester IUPAC Name: octyl 3-hydroxy-2-[[4-oxo-4-(4-sulfamoylanilino)butanoyl]amino]-3-phenylpropanoate Traditional Name: 3-hydroxy-2-[[4-keto-4-(4-sulfamoylanilino)butanoyl]amino]-3-phenyl-propionic acid octyl ester Formula: C27H37N3O7S MolecularWeight: 547.66358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C(C(C1=CC=CC=C1)O)NC(=O)CCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N

Isomeric SMILES

CCCCCCCCOC(=O)C(C(C1=CC=CC=C1)O)NC(=O)CCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N

InChI

InChI=1S/C27H37N3O7S/c1-2-3-4-5-6-10-19-37-27(34)25(26(33)20-11-8-7-9-12-20)30-24(32)18-17-23(31)29-21-13-15-22(16-14-21)38(28,35)36/h7-9,11-16,25-26,33H,2-6,10,17-19H2,1H3,(H,29,31)(H,30,32)(H2,28,35,36)