ethyl 4-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)piperidin-1-yl]sulfonyl-2,5-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 4-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)piperidin-1-yl]sulfonyl-2,5-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 4-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1-piperidyl]sulfonyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 4-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1-piperidinyl]sulfonyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)piperidin-1-yl]sulfonyl-2,5-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 4-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)piperidino]sulfonyl-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C24H33N3O4S MolecularWeight: 459.60152

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1S(=O)(=O)N2CCC(CC2)CN3CCC4=CC=CC=C4C3)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1S(=O)(=O)N2CCC(CC2)CN3CCC4=CC=CC=C4C3)C)C

InChI

InChI=1S/C24H33N3O4S/c1-4-31-24(28)22-17(2)25-18(3)23(22)32(29,30)27-13-9-19(10-14-27)15-26-12-11-20-7-5-6-8-21(20)16-26/h5-8,19,25H,4,9-16H2,1-3H3