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

Systemtic Name: methyl 6-[(2-tert-butylphenyl)carbamoylamino]-2-[(4-methylphenyl)sulfonylamino]hexanoate Openeye Name: methyl 6-[(2-tert-butylphenyl)carbamoylamino]-2-(p-tolylsulfonylamino)hexanoate CAS Name: 6-[[(2-tert-butylanilino)-oxomethyl]amino]-2-[(4-methylphenyl)sulfonylamino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(2-tert-butylphenyl)carbamoylamino]-2-[(4-methylphenyl)sulfonylamino]hexanoate Traditional Name: 6-[(2-tert-butylphenyl)carbamoylamino]-2-(tosylamino)hexanoic acid methyl ester Formula: C25H35N3O5S MolecularWeight: 489.6275

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CCCCNC(=O)NC2=CC=CC=C2C(C)(C)C)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CCCCNC(=O)NC2=CC=CC=C2C(C)(C)C)C(=O)OC

InChI

InChI=1S/C25H35N3O5S/c1-18-13-15-19(16-14-18)34(31,32)28-22(23(29)33-5)12-8-9-17-26-24(30)27-21-11-7-6-10-20(21)25(2,3)4/h6-7,10-11,13-16,22,28H,8-9,12,17H2,1-5H3,(H2,26,27,30)