methyl 2-[(4-methylsulfonylphenyl)methyl]-1-oxidanylidene-4-piperidin-1-yl-isoquinoline-3-carboxylate

Systemtic Name: methyl 2-[(4-methylsulfonylphenyl)methyl]-1-oxidanylidene-4-piperidin-1-yl-isoquinoline-3-carboxylate Openeye Name: methyl 2-[(4-methylsulfonylphenyl)methyl]-1-oxo-4-(1-piperidyl)isoquinoline-3-carboxylate CAS Name: 2-[(4-methylsulfonylphenyl)methyl]-1-oxo-4-(1-piperidinyl)-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4-methylsulfonylphenyl)methyl]-1-oxo-4-piperidin-1-ylisoquinoline-3-carboxylate Traditional Name: 1-keto-2-(4-mesylbenzyl)-4-piperidino-isoquinoline-3-carboxylic acid methyl ester Formula: C24H26N2O5S MolecularWeight: 454.53864

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC=CC=C2C(=O)N1CC3=CC=C(C=C3)S(=O)(=O)C)N4CCCCC4

Isomeric SMILES

COC(=O)C1=C(C2=CC=CC=C2C(=O)N1CC3=CC=C(C=C3)S(=O)(=O)C)N4CCCCC4

InChI

InChI=1S/C24H26N2O5S/c1-31-24(28)22-21(25-14-6-3-7-15-25)19-8-4-5-9-20(19)23(27)26(22)16-17-10-12-18(13-11-17)32(2,29)30/h4-5,8-13H,3,6-7,14-16H2,1-2H3