methyl 2-(3-piperidin-1-ylsulfonylphenyl)carbonyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate

Systemtic Name: methyl 2-(3-piperidin-1-ylsulfonylphenyl)carbonyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate Openeye Name: methyl 2-[3-(1-piperidylsulfonyl)benzoyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate CAS Name: 2-[oxo-[3-(1-piperidinylsulfonyl)phenyl]methyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylic acid methyl ester IUPAC Name: methyl 2-(3-piperidin-1-ylsulfonylbenzoyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate Traditional Name: 2-(3-piperidinosulfonylbenzoyl)-1,3,4,5-tetrahydropyrid[4,3-b]indole-8-carboxylic acid methyl ester Formula: C25H27N3O5S MolecularWeight: 481.56398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)NC3=C2CN(CC3)C(=O)C4=CC(=CC=C4)S(=O)(=O)N5CCCCC5

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)NC3=C2CN(CC3)C(=O)C4=CC(=CC=C4)S(=O)(=O)N5CCCCC5

InChI

InChI=1S/C25H27N3O5S/c1-33-25(30)18-8-9-22-20(15-18)21-16-27(13-10-23(21)26-22)24(29)17-6-5-7-19(14-17)34(31,32)28-11-3-2-4-12-28/h5-9,14-15,26H,2-4,10-13,16H2,1H3