methyl 3-[[(4-tert-butylphenyl)sulfonylamino]methyl]-5-(pyrazin-2-ylcarbonylamino)benzoate

Systemtic Name: methyl 3-[[(4-tert-butylphenyl)sulfonylamino]methyl]-5-(pyrazin-2-ylcarbonylamino)benzoate Openeye Name: methyl 3-[[(4-tert-butylphenyl)sulfonylamino]methyl]-5-(pyrazine-2-carbonylamino)benzoate CAS Name: 3-[[(4-tert-butylphenyl)sulfonylamino]methyl]-5-[[oxo(2-pyrazinyl)methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[(4-tert-butylphenyl)sulfonylamino]methyl]-5-(pyrazine-2-carbonylamino)benzoate Traditional Name: 3-[[(4-tert-butylphenyl)sulfonylamino]methyl]-5-(pyrazinoylamino)benzoic acid methyl ester Formula: C24H26N4O5S MolecularWeight: 482.55204

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NCC2=CC(=CC(=C2)C(=O)OC)NC(=O)C3=NC=CN=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NCC2=CC(=CC(=C2)C(=O)OC)NC(=O)C3=NC=CN=C3

InChI

InChI=1S/C24H26N4O5S/c1-24(2,3)18-5-7-20(8-6-18)34(31,32)27-14-16-11-17(23(30)33-4)13-19(12-16)28-22(29)21-15-25-9-10-26-21/h5-13,15,27H,14H2,1-4H3,(H,28,29)