4-[(2-ethanoyl-3,4-dihydro-1H-isoquinolin-7-yl)sulfonylmethyl]-4-ethoxycarbonyl-piperidine-1-carboxylic acid

Systemtic Name: 4-[(2-ethanoyl-3,4-dihydro-1H-isoquinolin-7-yl)sulfonylmethyl]-4-ethoxycarbonyl-piperidine-1-carboxylic acid Openeye Name: 4-[(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)sulfonylmethyl]-4-ethoxycarbonyl-piperidine-1-carboxylic acid CAS Name: 4-[(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)sulfonylmethyl]-4-ethoxycarbonyl-1-piperidinecarboxylic acid IUPAC Name: 4-[(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)sulfonylmethyl]-4-ethoxycarbonylpiperidine-1-carboxylic acid Traditional Name: 4-[(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)sulfonylmethyl]-4-carbethoxy-piperidine-1-carboxylic acid Formula: C21H28N2O7S MolecularWeight: 452.52122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O7S/c1-3-30-19(25)21(7-10-22(11-8-21)20(26)27)14-31(28,29)18-5-4-16-6-9-23(15(2)24)13-17(16)12-18/h4-5,12H,3,6-11,13-14H2,1-2H3,(H,26,27)