ethyl 3-(phenylmethyl)-1-thiophen-3-ylsulfonyl-piperidine-3-carboxylate

Systemtic Name: ethyl 3-(phenylmethyl)-1-thiophen-3-ylsulfonyl-piperidine-3-carboxylate Openeye Name: ethyl 3-benzyl-1-(3-thienylsulfonyl)piperidine-3-carboxylate CAS Name: 3-(phenylmethyl)-1-(3-thiophenylsulfonyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-benzyl-1-thiophen-3-ylsulfonylpiperidine-3-carboxylate Traditional Name: 3-benzyl-1-(3-thienylsulfonyl)nipecotic acid ethyl ester Formula: C19H23NO4S2 MolecularWeight: 393.52022

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)S(=O)(=O)C2=CSC=C2)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CCCN(C1)S(=O)(=O)C2=CSC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C19H23NO4S2/c1-2-24-18(21)19(13-16-7-4-3-5-8-16)10-6-11-20(15-19)26(22,23)17-9-12-25-14-17/h3-5,7-9,12,14H,2,6,10-11,13,15H2,1H3