[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 3-(4-morpholinosulfonylphenyl)prop-2-enoate CAS Name: 3-[4-(4-morpholinylsulfonyl)phenyl]-2-propenoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate Traditional Name: 3-(4-morpholinosulfonylphenyl)acrylic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C21H28N2O6S MolecularWeight: 436.52182

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC(=O)C=CC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

C1CCCN(CC1)C(=O)COC(=O)C=CC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C21H28N2O6S/c24-20(22-11-3-1-2-4-12-22)17-29-21(25)10-7-18-5-8-19(9-6-18)30(26,27)23-13-15-28-16-14-23/h5-10H,1-4,11-17H2