ethyl (3R)-1-[4-(phenylsulfonyl)thiophen-2-yl]sulfonylpiperidine-3-carboxylate

Systemtic Name: ethyl (3R)-1-[4-(phenylsulfonyl)thiophen-2-yl]sulfonylpiperidine-3-carboxylate Openeye Name: ethyl (3R)-1-[[4-(benzenesulfonyl)-2-thienyl]sulfonyl]piperidine-3-carboxylate CAS Name: (3R)-1-[[4-(benzenesulfonyl)-2-thiophenyl]sulfonyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-[4-(benzenesulfonyl)thiophen-2-yl]sulfonylpiperidine-3-carboxylate Traditional Name: (3R)-1-[(4-besyl-2-thienyl)sulfonyl]nipecotic acid ethyl ester Formula: C18H21NO6S3 MolecularWeight: 443.55744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)S(=O)(=O)C2=CC(=CS2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@@H]1CCCN(C1)S(=O)(=O)C2=CC(=CS2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H21NO6S3/c1-2-25-18(20)14-7-6-10-19(12-14)28(23,24)17-11-16(13-26-17)27(21,22)15-8-4-3-5-9-15/h3-5,8-9,11,13-14H,2,6-7,10,12H2,1H3/t14-/m1/s1