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

Systemtic Name: methyl 4-[[methyl-[4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]amino]methyl]benzoate Openeye Name: methyl 4-[[methyl-[4-methyl-2-(p-tolylsulfonylamino)pentanoyl]amino]methyl]benzoate CAS Name: 4-[[methyl-[4-methyl-2-[(4-methylphenyl)sulfonylamino]-1-oxopentyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[methyl-[4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]amino]methyl]benzoate Traditional Name: 4-[[methyl-[4-methyl-2-(tosylamino)pentanoyl]amino]methyl]benzoic acid methyl ester Formula: C23H30N2O5S MolecularWeight: 446.5597

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CC(C)C)C(=O)N(C)CC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CC(C)C)C(=O)N(C)CC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C23H30N2O5S/c1-16(2)14-21(24-31(28,29)20-12-6-17(3)7-13-20)22(26)25(4)15-18-8-10-19(11-9-18)23(27)30-5/h6-13,16,21,24H,14-15H2,1-5H3