ethyl 4-(3-but-2-ynoxyphenyl)sulfonyl-1-(phenylmethyl)piperidine-4-carboxylate

Systemtic Name: ethyl 4-(3-but-2-ynoxyphenyl)sulfonyl-1-(phenylmethyl)piperidine-4-carboxylate Openeye Name: ethyl 1-benzyl-4-(3-but-2-ynoxyphenyl)sulfonyl-piperidine-4-carboxylate CAS Name: 4-(3-but-2-ynoxyphenyl)sulfonyl-1-(phenylmethyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-4-(3-but-2-ynoxyphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-benzyl-4-(3-but-2-ynoxyphenyl)sulfonyl-isonipecotic acid ethyl ester Formula: C25H29NO5S MolecularWeight: 455.56646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)OCC#CC

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)OCC#CC

InChI

InChI=1S/C25H29NO5S/c1-3-5-18-31-22-12-9-13-23(19-22)32(28,29)25(24(27)30-4-2)14-16-26(17-15-25)20-21-10-7-6-8-11-21/h6-13,19H,4,14-18,20H2,1-2H3