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

Systemtic Name: methyl 3-[(2-chlorophenyl)sulfonylamino]-5-[(2-ethylbutanoylamino)methyl]benzoate Openeye Name: methyl 3-[(2-chlorophenyl)sulfonylamino]-5-[(2-ethylbutanoylamino)methyl]benzoate CAS Name: 3-[(2-chlorophenyl)sulfonylamino]-5-[[(2-ethyl-1-oxobutyl)amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(2-chlorophenyl)sulfonylamino]-5-[(2-ethylbutanoylamino)methyl]benzoate Traditional Name: 3-[(2-chlorophenyl)sulfonylamino]-5-[(2-ethylbutanoylamino)methyl]benzoic acid methyl ester Formula: C21H25ClN2O5S MolecularWeight: 452.9516

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)NCC1=CC(=CC(=C1)C(=O)OC)NS(=O)(=O)C2=CC=CC=C2Cl

Isomeric SMILES

CCC(CC)C(=O)NCC1=CC(=CC(=C1)C(=O)OC)NS(=O)(=O)C2=CC=CC=C2Cl

InChI

InChI=1S/C21H25ClN2O5S/c1-4-15(5-2)20(25)23-13-14-10-16(21(26)29-3)12-17(11-14)24-30(27,28)19-9-7-6-8-18(19)22/h6-12,15,24H,4-5,13H2,1-3H3,(H,23,25)