tert-butyl (E)-2-[(4-methyl-2-methylsulfonyl-pentanoyl)-[(2-methylphenyl)amino]amino]-5-phenyl-pent-4-enoate

Systemtic Name: tert-butyl (E)-2-[(4-methyl-2-methylsulfonyl-pentanoyl)-[(2-methylphenyl)amino]amino]-5-phenyl-pent-4-enoate Openeye Name: tert-butyl (E)-2-[(2-methylanilino)-(4-methyl-2-methylsulfonyl-pentanoyl)amino]-5-phenyl-pent-4-enoate CAS Name: (E)-2-[(2-methylanilino)-(4-methyl-2-methylsulfonyl-1-oxopentyl)amino]-5-phenyl-4-pentenoic acid tert-butyl ester IUPAC Name: tert-butyl (E)-2-[(2-methylanilino)-(4-methyl-2-methylsulfonylpentanoyl)amino]-5-phenylpent-4-enoate Traditional Name: (E)-2-[(2-mesyl-4-methyl-pentanoyl)-(o-toluidino)amino]-5-phenyl-pent-4-enoic acid tert-butyl ester Formula: C29H40N2O5S MolecularWeight: 528.7033

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NN(C(CC=CC2=CC=CC=C2)C(=O)OC(C)(C)C)C(=O)C(CC(C)C)S(=O)(=O)C

Isomeric SMILES

CC1=CC=CC=C1NN(C(C/C=C/C2=CC=CC=C2)C(=O)OC(C)(C)C)C(=O)C(CC(C)C)S(=O)(=O)C

InChI

InChI=1S/C29H40N2O5S/c1-21(2)20-26(37(7,34)35)27(32)31(30-24-18-12-11-14-22(24)3)25(28(33)36-29(4,5)6)19-13-17-23-15-9-8-10-16-23/h8-18,21,25-26,30H,19-20H2,1-7H3/b17-13+