(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 3-[(4-butylphenyl)sulfamoyl]-4-methyl-benzoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 3-[(4-butylphenyl)sulfamoyl]-4-methyl-benzoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-[(4-butylphenyl)sulfamoyl]-4-methyl-benzoate CAS Name: 3-[(4-butylphenyl)sulfamoyl]-4-methylbenzoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-[(4-butylphenyl)sulfamoyl]-4-methylbenzoate Traditional Name: 3-[(4-butylphenyl)sulfamoyl]-4-methyl-benzoic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C26H26N4O5S MolecularWeight: 506.57344

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3)C

InChI

InChI=1S/C26H26N4O5S/c1-3-4-7-19-11-14-21(15-12-19)28-36(33,34)24-16-20(13-10-18(24)2)26(32)35-17-30-25(31)22-8-5-6-9-23(22)27-29-30/h5-6,8-16,28H,3-4,7,17H2,1-2H3