ethyl 4-(3-phenylpropyl)-1-thiophen-3-ylsulfonyl-piperidine-4-carboxylate

Systemtic Name: ethyl 4-(3-phenylpropyl)-1-thiophen-3-ylsulfonyl-piperidine-4-carboxylate Openeye Name: ethyl 4-(3-phenylpropyl)-1-(3-thienylsulfonyl)piperidine-4-carboxylate CAS Name: 4-(3-phenylpropyl)-1-(3-thiophenylsulfonyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-phenylpropyl)-1-thiophen-3-ylsulfonylpiperidine-4-carboxylate Traditional Name: 4-(3-phenylpropyl)-1-(3-thienylsulfonyl)isonipecotic acid ethyl ester Formula: C21H27NO4S2 MolecularWeight: 421.57338

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)S(=O)(=O)C2=CSC=C2)CCCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)S(=O)(=O)C2=CSC=C2)CCCC3=CC=CC=C3

InChI

InChI=1S/C21H27NO4S2/c1-2-26-20(23)21(11-6-9-18-7-4-3-5-8-18)12-14-22(15-13-21)28(24,25)19-10-16-27-17-19/h3-5,7-8,10,16-17H,2,6,9,11-15H2,1H3