(4-nitrophenyl)methyl 3-(butoxymethylsulfamoyl)-5-(butylamino)-4-phenoxy-benzoate

Systemtic Name: (4-nitrophenyl)methyl 3-(butoxymethylsulfamoyl)-5-(butylamino)-4-phenoxy-benzoate Openeye Name: (4-nitrophenyl)methyl 3-(butoxymethylsulfamoyl)-5-(butylamino)-4-phenoxy-benzoate CAS Name: 3-(butoxymethylsulfamoyl)-5-(butylamino)-4-phenoxybenzoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 3-(butoxymethylsulfamoyl)-5-(butylamino)-4-phenoxybenzoate Traditional Name: 3-(butoxymethylsulfamoyl)-5-(butylamino)-4-phenoxy-benzoic acid (4-nitrobenzyl) ester Formula: C29H35N3O8S MolecularWeight: 585.6685

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C(=CC(=C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)NCOCCCC)OC3=CC=CC=C3

Isomeric SMILES

CCCCNC1=C(C(=CC(=C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)NCOCCCC)OC3=CC=CC=C3

InChI

InChI=1S/C29H35N3O8S/c1-3-5-16-30-26-18-23(29(33)39-20-22-12-14-24(15-13-22)32(34)35)19-27(28(26)40-25-10-8-7-9-11-25)41(36,37)31-21-38-17-6-4-2/h7-15,18-19,30-31H,3-6,16-17,20-21H2,1-2H3