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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC2=CC=C(C=C2)C(=O)OC)C3CCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC2=CC=C(C=C2)C(=O)OC)C3CCCCC3

InChI

InChI=1S/C23H28N2O5S/c1-17-8-14-21(15-9-17)31(28,29)25(20-6-4-3-5-7-20)16-22(26)24-19-12-10-18(11-13-19)23(27)30-2/h8-15,20H,3-7,16H2,1-2H3,(H,24,26)