[1-(4-ethylphenyl)-1-oxidanylidene-propan-2-yl] 3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate

Systemtic Name: [1-(4-ethylphenyl)-1-oxidanylidene-propan-2-yl] 3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate Openeye Name: [2-(4-ethylphenyl)-1-methyl-2-oxo-ethyl] 3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-2-propenoic acid [1-(4-ethylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-ethylphenyl)-1-oxopropan-2-yl] 3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]acrylic acid [2-(4-ethylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C26H31NO5S MolecularWeight: 469.59304

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C(C)OC(=O)C=CC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)C(C)OC(=O)C=CC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C26H31NO5S/c1-3-21-8-13-23(14-9-21)26(29)20(2)32-25(28)17-12-22-10-15-24(16-11-22)33(30,31)27-18-6-4-5-7-19-27/h8-17,20H,3-7,18-19H2,1-2H3