methyl 2-[2-[cyclohexyl-(4-methylphenyl)sulfonyl-amino]ethanoylamino]benzoate

Systemtic Name: methyl 2-[2-[cyclohexyl-(4-methylphenyl)sulfonyl-amino]ethanoylamino]benzoate Openeye Name: methyl 2-[[2-[cyclohexyl(p-tolylsulfonyl)amino]acetyl]amino]benzoate CAS Name: 2-[[2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[cyclohexyl-(4-methylphenyl)sulfonylamino]acetyl]amino]benzoate Traditional Name: 2-[[2-[cyclohexyl(tosyl)amino]acetyl]amino]benzoic acid methyl ester Formula: C23H28N2O5S MolecularWeight: 444.54382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC2=CC=CC=C2C(=O)OC)C3CCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC2=CC=CC=C2C(=O)OC)C3CCCCC3

InChI

InChI=1S/C23H28N2O5S/c1-17-12-14-19(15-13-17)31(28,29)25(18-8-4-3-5-9-18)16-22(26)24-21-11-7-6-10-20(21)23(27)30-2/h6-7,10-15,18H,3-5,8-9,16H2,1-2H3,(H,24,26)