methyl 4-[3-[4-(azepan-1-ylsulfonyl)phenyl]-3-oxidanylidene-prop-1-enyl]benzoate

Systemtic Name: methyl 4-[3-[4-(azepan-1-ylsulfonyl)phenyl]-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: methyl 4-[3-[4-(azepan-1-ylsulfonyl)phenyl]-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[3-[4-(1-azepanylsulfonyl)phenyl]-3-oxoprop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-[4-(azepan-1-ylsulfonyl)phenyl]-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[3-[4-(azepan-1-ylsulfonyl)phenyl]-3-keto-prop-1-enyl]benzoic acid methyl ester Formula: C23H25NO5S MolecularWeight: 427.5133

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25NO5S/c1-29-23(26)20-9-6-18(7-10-20)8-15-22(25)19-11-13-21(14-12-19)30(27,28)24-16-4-2-3-5-17-24/h6-15H,2-5,16-17H2,1H3