methyl 2-[(4-methylphenyl)sulfonylamino]-6-(2-thiophen-2-ylethylcarbamoylamino)hexanoate

Systemtic Name: methyl 2-[(4-methylphenyl)sulfonylamino]-6-(2-thiophen-2-ylethylcarbamoylamino)hexanoate Openeye Name: methyl 2-(p-tolylsulfonylamino)-6-[2-(2-thienyl)ethylcarbamoylamino]hexanoate CAS Name: 2-[(4-methylphenyl)sulfonylamino]-6-[[oxo-(2-thiophen-2-ylethylamino)methyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 2-[(4-methylphenyl)sulfonylamino]-6-(2-thiophen-2-ylethylcarbamoylamino)hexanoate Traditional Name: 6-[2-(2-thienyl)ethylcarbamoylamino]-2-(tosylamino)hexanoic acid methyl ester Formula: C21H29N3O5S2 MolecularWeight: 467.60206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CCCCNC(=O)NCCC2=CC=CS2)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CCCCNC(=O)NCCC2=CC=CS2)C(=O)OC

InChI

InChI=1S/C21H29N3O5S2/c1-16-8-10-18(11-9-16)31(27,28)24-19(20(25)29-2)7-3-4-13-22-21(26)23-14-12-17-6-5-15-30-17/h5-6,8-11,15,19,24H,3-4,7,12-14H2,1-2H3,(H2,22,23,26)