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

Systemtic Name: (3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate Openeye Name: (3,5-dimethylisoxazol-4-yl)methyl 3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-2-propenoic acid (3,5-dimethyl-4-isoxazolyl)methyl ester IUPAC Name: (3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]acrylic acid (3,5-dimethylisoxazol-4-yl)methyl ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)COC(=O)C=CC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C(=NO1)C)COC(=O)C=CC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H26N2O5S/c1-16-20(17(2)28-22-16)15-27-21(24)12-9-18-7-10-19(11-8-18)29(25,26)23-13-5-3-4-6-14-23/h7-12H,3-6,13-15H2,1-2H3