(2-azanyl-2-oxidanylidene-1-phenyl-ethyl) (E)-3-(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)prop-2-enoate

Systemtic Name: (2-azanyl-2-oxidanylidene-1-phenyl-ethyl) (E)-3-(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)prop-2-enoate Openeye Name: (2-amino-2-oxo-1-phenyl-ethyl) (E)-3-(4-methoxy-3-morpholinosulfonyl-phenyl)prop-2-enoate CAS Name: (E)-3-[4-methoxy-3-(4-morpholinylsulfonyl)phenyl]-2-propenoic acid (2-amino-2-oxo-1-phenylethyl) ester IUPAC Name: (2-amino-2-oxo-1-phenylethyl) (E)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enoate Traditional Name: (E)-3-(4-methoxy-3-morpholinosulfonyl-phenyl)acrylic acid (2-amino-2-keto-1-phenyl-ethyl) ester Formula: C22H24N2O7S MolecularWeight: 460.50016

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)OC(C2=CC=CC=C2)C(=O)N)S(=O)(=O)N3CCOCC3

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)OC(C2=CC=CC=C2)C(=O)N)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C22H24N2O7S/c1-29-18-9-7-16(15-19(18)32(27,28)24-11-13-30-14-12-24)8-10-20(25)31-21(22(23)26)17-5-3-2-4-6-17/h2-10,15,21H,11-14H2,1H3,(H2,23,26)/b10-8+