methyl 2-[[4-[(1-cyclohexylbutan-2-ylamino)methyl]-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfonyl-butanoate

Systemtic Name: methyl 2-[[4-[(1-cyclohexylbutan-2-ylamino)methyl]-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfonyl-butanoate Openeye Name: methyl 2-[[4-[[1-(cyclohexylmethyl)propylamino]methyl]-2-(o-tolyl)benzoyl]amino]-4-methylsulfonyl-butanoate CAS Name: 2-[[[4-[(1-cyclohexylbutan-2-ylamino)methyl]-2-(2-methylphenyl)phenyl]-oxomethyl]amino]-4-methylsulfonylbutanoic acid methyl ester IUPAC Name: methyl 2-[[4-[(1-cyclohexylbutan-2-ylamino)methyl]-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfonylbutanoate Traditional Name: 2-[[4-[[1-(cyclohexylmethyl)propylamino]methyl]-2-(o-tolyl)benzoyl]amino]-4-mesyl-butyric acid methyl ester Formula: C31H44N2O5S MolecularWeight: 556.75646

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1CCCCC1)NCC2=CC(=C(C=C2)C(=O)NC(CCS(=O)(=O)C)C(=O)OC)C3=CC=CC=C3C

Isomeric SMILES

CCC(CC1CCCCC1)NCC2=CC(=C(C=C2)C(=O)NC(CCS(=O)(=O)C)C(=O)OC)C3=CC=CC=C3C

InChI

InChI=1S/C31H44N2O5S/c1-5-25(19-23-12-7-6-8-13-23)32-21-24-15-16-27(28(20-24)26-14-10-9-11-22(26)2)30(34)33-29(31(35)38-3)17-18-39(4,36)37/h9-11,14-16,20,23,25,29,32H,5-8,12-13,17-19,21H2,1-4H3,(H,33,34)