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

Systemtic Name: (5-phenyl-1,3-oxazol-2-yl)methyl (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate Openeye Name: (5-phenyloxazol-2-yl)methyl (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate CAS Name: (E)-3-[4-(1-azepanylsulfonyl)phenyl]-2-propenoic acid (5-phenyl-2-oxazolyl)methyl ester IUPAC Name: (5-phenyl-1,3-oxazol-2-yl)methyl (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate Traditional Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]acrylic acid (5-phenyloxazol-2-yl)methyl ester Formula: C25H26N2O5S MolecularWeight: 466.54934

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C=CC(=O)OCC3=NC=C(O3)C4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)/C=C/C(=O)OCC3=NC=C(O3)C4=CC=CC=C4

InChI

InChI=1S/C25H26N2O5S/c28-25(31-19-24-26-18-23(32-24)21-8-4-3-5-9-21)15-12-20-10-13-22(14-11-20)33(29,30)27-16-6-1-2-7-17-27/h3-5,8-15,18H,1-2,6-7,16-17,19H2/b15-12+