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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N(N(C(CC=CC2=CC=CC=C2)C(=O)OC(C)(C)C)C(=O)CCC(C)C)S(=O)(=O)C

Isomeric SMILES

CC1=CC=CC=C1N(N(C(C/C=C/C2=CC=CC=C2)C(=O)OC(C)(C)C)C(=O)CCC(C)C)S(=O)(=O)C

InChI

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