4-[(2-hexadecoxy-5-methoxycarbonyl-phenyl)sulfamoyl]benzoic acid

Systemtic Name: 4-[(2-hexadecoxy-5-methoxycarbonyl-phenyl)sulfamoyl]benzoic acid Openeye Name: 4-[(2-hexadecoxy-5-methoxycarbonyl-phenyl)sulfamoyl]benzoic acid CAS Name: 4-[(2-hexadecoxy-5-methoxycarbonylphenyl)sulfamoyl]benzoic acid IUPAC Name: 4-[(2-hexadecoxy-5-methoxycarbonylphenyl)sulfamoyl]benzoic acid Traditional Name: 4-[(5-carbomethoxy-2-cetyloxy-phenyl)sulfamoyl]benzoic acid Formula: C31H45NO7S MolecularWeight: 575.7565

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)OC)NS(=O)(=O)C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)OC)NS(=O)(=O)C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C31H45NO7S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-39-29-22-19-26(31(35)38-2)24-28(29)32-40(36,37)27-20-17-25(18-21-27)30(33)34/h17-22,24,32H,3-16,23H2,1-2H3,(H,33,34)