methyl (2S)-2-[[(E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoyl]amino]-3-oxidanyl-propanoate

Systemtic Name: methyl (2S)-2-[[(E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoyl]amino]-3-oxidanyl-propanoate Openeye Name: methyl (2S)-3-hydroxy-2-[[(E)-3-(4-morpholinosulfonylphenyl)prop-2-enoyl]amino]propanoate CAS Name: (2S)-3-hydroxy-2-[[(E)-3-[4-(4-morpholinylsulfonyl)phenyl]-1-oxoprop-2-enyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-hydroxy-2-[[(E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoyl]amino]propanoate Traditional Name: (2S)-3-hydroxy-2-[[(E)-3-(4-morpholinosulfonylphenyl)acryloyl]amino]propionic acid methyl ester Formula: C17H22N2O7S MolecularWeight: 398.43078

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CO)NC(=O)C=CC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2

Isomeric SMILES

COC(=O)[C@H](CO)NC(=O)/C=C/C1=CC=C(C=C1)S(=O)(=O)N2CCOCC2

InChI

InChI=1S/C17H22N2O7S/c1-25-17(22)15(12-20)18-16(21)7-4-13-2-5-14(6-3-13)27(23,24)19-8-10-26-11-9-19/h2-7,15,20H,8-12H2,1H3,(H,18,21)/b7-4+/t15-/m0/s1