[2-[(5-azanyl-2-morpholin-4-yl-phenyl)sulfonylamino]-4-hexadecoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl] ethanoate

Systemtic Name: [2-[(5-azanyl-2-morpholin-4-yl-phenyl)sulfonylamino]-4-hexadecoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl] ethanoate Openeye Name: [2-[(5-amino-2-morpholino-phenyl)sulfonylamino]-4-hexadecoxy-5-(1,1,3,3-tetramethylbutyl)phenyl] acetate CAS Name: acetic acid [2-[[5-amino-2-(4-morpholinyl)phenyl]sulfonylamino]-4-hexadecoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl] ester IUPAC Name: [2-[(5-amino-2-morpholin-4-ylphenyl)sulfonylamino]-4-hexadecoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl] acetate Traditional Name: acetic acid [2-[(5-amino-2-morpholino-phenyl)sulfonylamino]-4-cetyloxy-5-(1,1,3,3-tetramethylbutyl)phenyl] ester Formula: C42H69N3O6S MolecularWeight: 744.07876

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC(=C(C=C1C(C)(C)CC(C)(C)C)OC(=O)C)NS(=O)(=O)C2=C(C=CC(=C2)N)N3CCOCC3

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC(=C(C=C1C(C)(C)CC(C)(C)C)OC(=O)C)NS(=O)(=O)C2=C(C=CC(=C2)N)N3CCOCC3

InChI

InChI=1S/C42H69N3O6S/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26-50-38-31-36(39(51-33(2)46)30-35(38)42(6,7)32-41(3,4)5)44-52(47,48)40-29-34(43)22-23-37(40)45-24-27-49-28-25-45/h22-23,29-31,44H,8-21,24-28,32,43H2,1-7H3