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

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 3-(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)prop-2-enoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 3-(4-methoxy-3-morpholinosulfonyl-phenyl)prop-2-enoate CAS Name: 3-[4-methoxy-3-(4-morpholinylsulfonyl)phenyl]-2-propenoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enoate Traditional Name: 3-(4-methoxy-3-morpholinosulfonyl-phenyl)acrylic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C22H30N2O7S MolecularWeight: 466.5478

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)OCC(=O)N2CCCCCC2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C=CC(=O)OCC(=O)N2CCCCCC2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C22H30N2O7S/c1-29-19-8-6-18(16-20(19)32(27,28)24-12-14-30-15-13-24)7-9-22(26)31-17-21(25)23-10-4-2-3-5-11-23/h6-9,16H,2-5,10-15,17H2,1H3