methyl 3-[(2-chlorophenyl)sulfonylamino]-5-[(cyclobutylcarbonylamino)methyl]benzoate

Systemtic Name: methyl 3-[(2-chlorophenyl)sulfonylamino]-5-[(cyclobutylcarbonylamino)methyl]benzoate Openeye Name: methyl 3-[(2-chlorophenyl)sulfonylamino]-5-[(cyclobutanecarbonylamino)methyl]benzoate CAS Name: 3-[(2-chlorophenyl)sulfonylamino]-5-[[[cyclobutyl(oxo)methyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(2-chlorophenyl)sulfonylamino]-5-[(cyclobutanecarbonylamino)methyl]benzoate Traditional Name: 3-[(2-chlorophenyl)sulfonylamino]-5-[(cyclobutanecarbonylamino)methyl]benzoic acid methyl ester Formula: C20H21ClN2O5S MolecularWeight: 436.90914

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NS(=O)(=O)C2=CC=CC=C2Cl)CNC(=O)C3CCC3

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NS(=O)(=O)C2=CC=CC=C2Cl)CNC(=O)C3CCC3

InChI

InChI=1S/C20H21ClN2O5S/c1-28-20(25)15-9-13(12-22-19(24)14-5-4-6-14)10-16(11-15)23-29(26,27)18-8-3-2-7-17(18)21/h2-3,7-11,14,23H,4-6,12H2,1H3,(H,22,24)