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

Systemtic Name: ethyl 3-[(2-methylphenyl)methyl]-1-thiophen-3-ylsulfonyl-piperidine-3-carboxylate Openeye Name: ethyl 3-(o-tolylmethyl)-1-(3-thienylsulfonyl)piperidine-3-carboxylate CAS Name: 3-[(2-methylphenyl)methyl]-1-(3-thiophenylsulfonyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(2-methylphenyl)methyl]-1-thiophen-3-ylsulfonylpiperidine-3-carboxylate Traditional Name: 3-(2-methylbenzyl)-1-(3-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=CSC=C2)CC3=CC=CC=C3C

Isomeric SMILES

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

InChI

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