methyl 6-[(5-bromanylthiophen-2-yl)sulfonylamino]-2-[(4-methylphenyl)sulfonylamino]hexanoate

Systemtic Name: methyl 6-[(5-bromanylthiophen-2-yl)sulfonylamino]-2-[(4-methylphenyl)sulfonylamino]hexanoate Openeye Name: methyl 6-[(5-bromo-2-thienyl)sulfonylamino]-2-(p-tolylsulfonylamino)hexanoate CAS Name: 6-[(5-bromo-2-thiophenyl)sulfonylamino]-2-[(4-methylphenyl)sulfonylamino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(5-bromothiophen-2-yl)sulfonylamino]-2-[(4-methylphenyl)sulfonylamino]hexanoate Traditional Name: 6-[(5-bromo-2-thienyl)sulfonylamino]-2-(tosylamino)hexanoic acid methyl ester Formula: C18H23BrN2O6S3 MolecularWeight: 539.48402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CCCCNS(=O)(=O)C2=CC=C(S2)Br)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CCCCNS(=O)(=O)C2=CC=C(S2)Br)C(=O)OC

InChI

InChI=1S/C18H23BrN2O6S3/c1-13-6-8-14(9-7-13)29(23,24)21-15(18(22)27-2)5-3-4-12-20-30(25,26)17-11-10-16(19)28-17/h6-11,15,20-21H,3-5,12H2,1-2H3