ethyl (3S)-3-[(2-methylphenyl)methyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-3-[(2-methylphenyl)methyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxylate Openeye Name: ethyl (3S)-3-(o-tolylmethyl)-1-(2-thienylsulfonyl)piperidine-3-carboxylate CAS Name: (3S)-3-[(2-methylphenyl)methyl]-1-thiophen-2-ylsulfonyl-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-3-[(2-methylphenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxylate Traditional Name: (3S)-3-(2-methylbenzyl)-1-(2-thienylsulfonyl)nipecotic acid ethyl ester Formula: C20H25NO4S2 MolecularWeight: 407.5468

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)S(=O)(=O)C2=CC=CS2)CC3=CC=CC=C3C

Isomeric SMILES

CCOC(=O)[C@@]1(CCCN(C1)S(=O)(=O)C2=CC=CS2)CC3=CC=CC=C3C

InChI

InChI=1S/C20H25NO4S2/c1-3-25-19(22)20(14-17-9-5-4-8-16(17)2)11-7-12-21(15-20)27(23,24)18-10-6-13-26-18/h4-6,8-10,13H,3,7,11-12,14-15H2,1-2H3/t20-/m0/s1