methyl 4-phenyl-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxylate

Systemtic Name: methyl 4-phenyl-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxylate Openeye Name: methyl 4-phenyl-1-tetralin-6-ylsulfonyl-piperidine-4-carboxylate CAS Name: 4-phenyl-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 4-phenyl-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxylate Traditional Name: 4-phenyl-1-tetralin-6-ylsulfonyl-isonipecotic acid methyl ester Formula: C23H27NO4S MolecularWeight: 413.52978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCN(CC1)S(=O)(=O)C2=CC3=C(CCCC3)C=C2)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1(CCN(CC1)S(=O)(=O)C2=CC3=C(CCCC3)C=C2)C4=CC=CC=C4

InChI

InChI=1S/C23H27NO4S/c1-28-22(25)23(20-9-3-2-4-10-20)13-15-24(16-14-23)29(26,27)21-12-11-18-7-5-6-8-19(18)17-21/h2-4,9-12,17H,5-8,13-16H2,1H3