tert-butyl 3-[[phenyl(thiophen-2-ylsulfonyl)amino]methyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 3-[[phenyl(thiophen-2-ylsulfonyl)amino]methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 3-[[N-(2-thienylsulfonyl)anilino]methyl]piperidine-1-carboxylate CAS Name: 3-[(N-thiophen-2-ylsulfonylanilino)methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(N-thiophen-2-ylsulfonylanilino)methyl]piperidine-1-carboxylate Traditional Name: 3-[[N-(2-thienylsulfonyl)anilino]methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C21H28N2O4S2 MolecularWeight: 436.58802

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)CN(C2=CC=CC=C2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C1)CN(C2=CC=CC=C2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C21H28N2O4S2/c1-21(2,3)27-20(24)22-13-7-9-17(15-22)16-23(18-10-5-4-6-11-18)29(25,26)19-12-8-14-28-19/h4-6,8,10-12,14,17H,7,9,13,15-16H2,1-3H3