(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate

Systemtic Name: (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate Openeye Name: (5-methyl-2-phenyl-oxazol-4-yl)methyl (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate CAS Name: (E)-3-[4-(1-azepanylsulfonyl)phenyl]-2-propenoic acid (5-methyl-2-phenyl-4-oxazolyl)methyl ester IUPAC Name: (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate Traditional Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]acrylic acid (5-methyl-2-phenyl-oxazol-4-yl)methyl ester Formula: C26H28N2O5S MolecularWeight: 480.57592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC=CC=C2)COC(=O)C=CC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=CC=C2)COC(=O)/C=C/C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C26H28N2O5S/c1-20-24(27-26(33-20)22-9-5-4-6-10-22)19-32-25(29)16-13-21-11-14-23(15-12-21)34(30,31)28-17-7-2-3-8-18-28/h4-6,9-16H,2-3,7-8,17-19H2,1H3/b16-13+