(1-cyanoindolizin-2-yl)methyl 4-chloranyl-3-(3-methylpiperidin-1-yl)sulfonyl-benzoate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl 4-chloranyl-3-(3-methylpiperidin-1-yl)sulfonyl-benzoate Openeye Name: (1-cyanoindolizin-2-yl)methyl 4-chloro-3-[(3-methyl-1-piperidyl)sulfonyl]benzoate CAS Name: 4-chloro-3-[(3-methyl-1-piperidinyl)sulfonyl]benzoic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl 4-chloro-3-(3-methylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 4-chloro-3-(3-methylpiperidino)sulfonyl-benzoic acid (1-cyanoindolizin-2-yl)methyl ester Formula: C23H22ClN3O4S MolecularWeight: 471.95648

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=CN4C=CC=CC4=C3C#N)Cl

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=CN4C=CC=CC4=C3C#N)Cl

InChI

InChI=1S/C23H22ClN3O4S/c1-16-5-4-10-27(13-16)32(29,30)22-11-17(7-8-20(22)24)23(28)31-15-18-14-26-9-3-2-6-21(26)19(18)12-25/h2-3,6-9,11,14,16H,4-5,10,13,15H2,1H3