O1-tert-butyl O4-ethyl 4-[(2-ethanoyl-3,4-dihydro-1H-isoquinolin-7-yl)sulfonylmethyl]piperidine-1,4-dicarboxylate

Systemtic Name: O1-tert-butyl O4-ethyl 4-[(2-ethanoyl-3,4-dihydro-1H-isoquinolin-7-yl)sulfonylmethyl]piperidine-1,4-dicarboxylate Openeye Name: O1-tert-butyl O4-ethyl 4-[(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)sulfonylmethyl]piperidine-1,4-dicarboxylate CAS Name: 4-[(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)sulfonylmethyl]piperidine-1,4-dicarboxylic acid O1-tert-butyl ester O4-ethyl ester IUPAC Name: 1-O-tert-butyl 4-O-ethyl 4-[(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)sulfonylmethyl]piperidine-1,4-dicarboxylate Traditional Name: 4-[(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)sulfonylmethyl]piperidine-1,4-dicarboxylic acid O1-tert-butyl ester O4-ethyl ester Formula: C25H36N2O7S MolecularWeight: 508.62754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C(=O)OC(C)(C)C)CS(=O)(=O)C2=CC3=C(CCN(C3)C(=O)C)C=C2

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C(=O)OC(C)(C)C)CS(=O)(=O)C2=CC3=C(CCN(C3)C(=O)C)C=C2

InChI

InChI=1S/C25H36N2O7S/c1-6-33-22(29)25(10-13-26(14-11-25)23(30)34-24(3,4)5)17-35(31,32)21-8-7-19-9-12-27(18(2)28)16-20(19)15-21/h7-8,15H,6,9-14,16-17H2,1-5H3