methyl 4-[3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoyloxymethyl]benzoate

Systemtic Name: methyl 4-[3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoyloxymethyl]benzoate Openeye Name: methyl 4-[3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoyloxymethyl]benzoate CAS Name: 4-[[3-[4-(1-azepanylsulfonyl)phenyl]-1-oxoprop-2-enoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoyloxymethyl]benzoate Traditional Name: 4-[[3-[4-(azepan-1-ylsulfonyl)phenyl]acryloyl]oxymethyl]benzoic acid methyl ester Formula: C24H27NO6S MolecularWeight: 457.53928

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)COC(=O)C=CC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)COC(=O)C=CC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C24H27NO6S/c1-30-24(27)21-11-6-20(7-12-21)18-31-23(26)15-10-19-8-13-22(14-9-19)32(28,29)25-16-4-2-3-5-17-25/h6-15H,2-5,16-18H2,1H3