methyl (2S)-2-[[(E)-3-(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)prop-2-enoyl]amino]-4-methyl-pentanoate

Systemtic Name: methyl (2S)-2-[[(E)-3-(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)prop-2-enoyl]amino]-4-methyl-pentanoate Openeye Name: methyl (2S)-2-[[(E)-3-(4-methoxy-3-morpholinosulfonyl-phenyl)prop-2-enoyl]amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[(E)-3-[4-methoxy-3-(4-morpholinylsulfonyl)phenyl]-1-oxoprop-2-enyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(E)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enoyl]amino]-4-methylpentanoate Traditional Name: (2S)-2-[[(E)-3-(4-methoxy-3-morpholinosulfonyl-phenyl)acryloyl]amino]-4-methyl-valeric acid methyl ester Formula: C21H30N2O7S MolecularWeight: 454.5371

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=O)C=CC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCOCC2

Isomeric SMILES

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

InChI

InChI=1S/C21H30N2O7S/c1-15(2)13-17(21(25)29-4)22-20(24)8-6-16-5-7-18(28-3)19(14-16)31(26,27)23-9-11-30-12-10-23/h5-8,14-15,17H,9-13H2,1-4H3,(H,22,24)/b8-6+/t17-/m0/s1