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

Systemtic Name: methyl 2-(3-piperidin-1-ylsulfonylthiophen-2-yl)carbonyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate Openeye Name: methyl 2-[3-(1-piperidylsulfonyl)thiophene-2-carbonyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate CAS Name: 2-[oxo-[3-(1-piperidinylsulfonyl)-2-thiophenyl]methyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylic acid methyl ester IUPAC Name: methyl 2-(3-piperidin-1-ylsulfonylthiophene-2-carbonyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate Traditional Name: 2-(3-piperidinosulfonylthiophene-2-carbonyl)-1,3,4,5-tetrahydropyrid[4,3-b]indole-8-carboxylic acid methyl ester Formula: C23H25N3O5S2 MolecularWeight: 487.5917

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)NC3=C2CN(CC3)C(=O)C4=C(C=CS4)S(=O)(=O)N5CCCCC5

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)NC3=C2CN(CC3)C(=O)C4=C(C=CS4)S(=O)(=O)N5CCCCC5

InChI

InChI=1S/C23H25N3O5S2/c1-31-23(28)15-5-6-18-16(13-15)17-14-25(11-7-19(17)24-18)22(27)21-20(8-12-32-21)33(29,30)26-9-3-2-4-10-26/h5-6,8,12-13,24H,2-4,7,9-11,14H2,1H3