(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl) 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate

Systemtic Name: (2-oxidanylidene-2-pyrrolidin-1-yl-ethyl) 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate Openeye Name: (2-oxo-2-pyrrolidin-1-yl-ethyl) 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate CAS Name: 5-(1-azepanylsulfonyl)-2-methoxybenzoic acid [2-oxo-2-(1-pyrrolidinyl)ethyl] ester IUPAC Name: (2-oxo-2-pyrrolidin-1-ylethyl) 5-(azepan-1-ylsulfonyl)-2-methoxybenzoate Traditional Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoic acid (2-keto-2-pyrrolidino-ethyl) ester Formula: C20H28N2O6S MolecularWeight: 424.51112

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)OCC(=O)N3CCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)OCC(=O)N3CCCC3

InChI

InChI=1S/C20H28N2O6S/c1-27-18-9-8-16(29(25,26)22-12-4-2-3-5-13-22)14-17(18)20(24)28-15-19(23)21-10-6-7-11-21/h8-9,14H,2-7,10-13,15H2,1H3