sulfamoyl 3-(butylamino)-5-(methoxymethyl)-2-[(4-nitrophenyl)methyl]-4-phenoxy-benzoate

Systemtic Name: sulfamoyl 3-(butylamino)-5-(methoxymethyl)-2-[(4-nitrophenyl)methyl]-4-phenoxy-benzoate Openeye Name: sulfamoyl 3-(butylamino)-5-(methoxymethyl)-2-[(4-nitrophenyl)methyl]-4-phenoxy-benzoate CAS Name: 3-(butylamino)-5-(methoxymethyl)-2-[(4-nitrophenyl)methyl]-4-phenoxybenzoic acid sulfamoyl ester IUPAC Name: sulfamoyl 3-(butylamino)-5-(methoxymethyl)-2-[(4-nitrophenyl)methyl]-4-phenoxybenzoate Traditional Name: 3-(butylamino)-5-(methoxymethyl)-2-(4-nitrobenzyl)-4-phenoxy-benzoic acid sulfamoyl ester Formula: C26H29N3O8S MolecularWeight: 543.58876

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C(=CC(=C1OC2=CC=CC=C2)COC)C(=O)OS(=O)(=O)N)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCNC1=C(C(=CC(=C1OC2=CC=CC=C2)COC)C(=O)OS(=O)(=O)N)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C26H29N3O8S/c1-3-4-14-28-24-22(15-18-10-12-20(13-11-18)29(31)32)23(26(30)37-38(27,33)34)16-19(17-35-2)25(24)36-21-8-6-5-7-9-21/h5-13,16,28H,3-4,14-15,17H2,1-2H3,(H2,27,33,34)