tert-butyl (E)-2-[4-methylpentanoyl-[methylsulfonyl(phenyl)amino]amino]-5-pyridin-3-yl-pent-4-enoate

Systemtic Name: tert-butyl (E)-2-[4-methylpentanoyl-[methylsulfonyl(phenyl)amino]amino]-5-pyridin-3-yl-pent-4-enoate Openeye Name: tert-butyl (E)-2-[4-methylpentanoyl-(N-methylsulfonylanilino)amino]-5-(3-pyridyl)pent-4-enoate CAS Name: (E)-2-[(4-methyl-1-oxopentyl)-(N-methylsulfonylanilino)amino]-5-(3-pyridinyl)-4-pentenoic acid tert-butyl ester IUPAC Name: tert-butyl (E)-2-[4-methylpentanoyl-(N-methylsulfonylanilino)amino]-5-pyridin-3-ylpent-4-enoate Traditional Name: (E)-2-[(N-mesylanilino)-(4-methylpentanoyl)amino]-5-(3-pyridyl)pent-4-enoic acid tert-butyl ester Formula: C27H37N3O5S MolecularWeight: 515.66478

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(=O)N(C(CC=CC1=CN=CC=C1)C(=O)OC(C)(C)C)N(C2=CC=CC=C2)S(=O)(=O)C

Isomeric SMILES

CC(C)CCC(=O)N(C(C/C=C/C1=CN=CC=C1)C(=O)OC(C)(C)C)N(C2=CC=CC=C2)S(=O)(=O)C

InChI

InChI=1S/C27H37N3O5S/c1-21(2)17-18-25(31)29(30(36(6,33)34)23-14-8-7-9-15-23)24(26(32)35-27(3,4)5)16-10-12-22-13-11-19-28-20-22/h7-15,19-21,24H,16-18H2,1-6H3/b12-10+