methyl 6-[(4-bromophenyl)carbamoylamino]-2-[(4-methylphenyl)sulfonylamino]hexanoate

Systemtic Name: methyl 6-[(4-bromophenyl)carbamoylamino]-2-[(4-methylphenyl)sulfonylamino]hexanoate Openeye Name: methyl 6-[(4-bromophenyl)carbamoylamino]-2-(p-tolylsulfonylamino)hexanoate CAS Name: 6-[[(4-bromoanilino)-oxomethyl]amino]-2-[(4-methylphenyl)sulfonylamino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(4-bromophenyl)carbamoylamino]-2-[(4-methylphenyl)sulfonylamino]hexanoate Traditional Name: 6-[(4-bromophenyl)carbamoylamino]-2-(tosylamino)hexanoic acid methyl ester Formula: C21H26BrN3O5S MolecularWeight: 512.41724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CCCCNC(=O)NC2=CC=C(C=C2)Br)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CCCCNC(=O)NC2=CC=C(C=C2)Br)C(=O)OC

InChI

InChI=1S/C21H26BrN3O5S/c1-15-6-12-18(13-7-15)31(28,29)25-19(20(26)30-2)5-3-4-14-23-21(27)24-17-10-8-16(22)9-11-17/h6-13,19,25H,3-5,14H2,1-2H3,(H2,23,24,27)