methyl 4-[[[4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]amino]methyl]benzoate

Systemtic Name: methyl 4-[[[4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]amino]methyl]benzoate Openeye Name: methyl 4-[[[4-methyl-2-(p-tolylsulfonylamino)pentanoyl]amino]methyl]benzoate CAS Name: 4-[[[4-methyl-2-[(4-methylphenyl)sulfonylamino]-1-oxopentyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]amino]methyl]benzoate Traditional Name: 4-[[[4-methyl-2-(tosylamino)pentanoyl]amino]methyl]benzoic acid methyl ester Formula: C22H28N2O5S MolecularWeight: 432.53312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CC(C)C)C(=O)NCC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CC(C)C)C(=O)NCC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C22H28N2O5S/c1-15(2)13-20(24-30(27,28)19-11-5-16(3)6-12-19)21(25)23-14-17-7-9-18(10-8-17)22(26)29-4/h5-12,15,20,24H,13-14H2,1-4H3,(H,23,25)