(1-cyanoindolizin-2-yl)methyl 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate Openeye Name: (1-cyanoindolizin-2-yl)methyl 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-methoxybenzoic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl 3-(azepan-1-ylsulfonyl)-4-methoxybenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoic acid (1-cyanoindolizin-2-yl)methyl ester Formula: C24H25N3O5S MolecularWeight: 467.5374

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC2=CN3C=CC=CC3=C2C#N)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC2=CN3C=CC=CC3=C2C#N)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C24H25N3O5S/c1-31-22-10-9-18(14-23(22)33(29,30)27-12-5-2-3-6-13-27)24(28)32-17-19-16-26-11-7-4-8-21(26)20(19)15-25/h4,7-11,14,16H,2-3,5-6,12-13,17H2,1H3