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

Systemtic Name: (1-cyanoindolizin-2-yl)methyl 4-methyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: (1-cyanoindolizin-2-yl)methyl 4-methyl-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-methyl-3-(1-piperidinylsulfonyl)benzoic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl 4-methyl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-methyl-3-piperidinosulfonyl-benzoic acid (1-cyanoindolizin-2-yl)methyl ester Formula: C23H23N3O4S MolecularWeight: 437.51142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC2=CN3C=CC=CC3=C2C#N)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC2=CN3C=CC=CC3=C2C#N)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C23H23N3O4S/c1-17-8-9-18(13-22(17)31(28,29)26-11-4-2-5-12-26)23(27)30-16-19-15-25-10-6-3-7-21(25)20(19)14-24/h3,6-10,13,15H,2,4-5,11-12,16H2,1H3