[2-(butylamino)-2-oxidanylidene-ethyl] (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate

Systemtic Name: [2-(butylamino)-2-oxidanylidene-ethyl] (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate Openeye Name: [2-(butylamino)-2-oxo-ethyl] (E)-3-(4-morpholinosulfonylphenyl)prop-2-enoate CAS Name: (E)-3-[4-(4-morpholinylsulfonyl)phenyl]-2-propenoic acid [2-(butylamino)-2-oxoethyl] ester IUPAC Name: [2-(butylamino)-2-oxoethyl] (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate Traditional Name: (E)-3-(4-morpholinosulfonylphenyl)acrylic acid [2-(butylamino)-2-keto-ethyl] ester Formula: C19H26N2O6S MolecularWeight: 410.48454

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)COC(=O)C=CC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2

Isomeric SMILES

CCCCNC(=O)COC(=O)/C=C/C1=CC=C(C=C1)S(=O)(=O)N2CCOCC2

InChI

InChI=1S/C19H26N2O6S/c1-2-3-10-20-18(22)15-27-19(23)9-6-16-4-7-17(8-5-16)28(24,25)21-11-13-26-14-12-21/h4-9H,2-3,10-15H2,1H3,(H,20,22)/b9-6+