4-phenylbutyl 1-thiophen-2-ylsulfonylpiperidine-2-carboxylate

Systemtic Name: 4-phenylbutyl 1-thiophen-2-ylsulfonylpiperidine-2-carboxylate Openeye Name: 4-phenylbutyl 1-(2-thienylsulfonyl)piperidine-2-carboxylate CAS Name: 1-thiophen-2-ylsulfonyl-2-piperidinecarboxylic acid 4-phenylbutyl ester IUPAC Name: 4-phenylbutyl 1-thiophen-2-ylsulfonylpiperidine-2-carboxylate Traditional Name: 1-(2-thienylsulfonyl)pipecolinic acid 4-phenylbutyl ester Formula: C20H25NO4S2 MolecularWeight: 407.5468

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)OCCCCC2=CC=CC=C2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

C1CCN(C(C1)C(=O)OCCCCC2=CC=CC=C2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C20H25NO4S2/c22-20(25-15-7-5-11-17-9-2-1-3-10-17)18-12-4-6-14-21(18)27(23,24)19-13-8-16-26-19/h1-3,8-10,13,16,18H,4-7,11-12,14-15H2