thiophen-2-ylmethyl 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate

Systemtic Name: thiophen-2-ylmethyl 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate Openeye Name: 2-thienylmethyl 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-methoxybenzoic acid thiophen-2-ylmethyl ester IUPAC Name: thiophen-2-ylmethyl 3-(azepan-1-ylsulfonyl)-4-methoxybenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoic acid 2-thenyl ester Formula: C19H23NO5S2 MolecularWeight: 409.51962

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC2=CC=CS2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC2=CC=CS2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C19H23NO5S2/c1-24-17-9-8-15(19(21)25-14-16-7-6-12-26-16)13-18(17)27(22,23)20-10-4-2-3-5-11-20/h6-9,12-13H,2-5,10-11,14H2,1H3