pentyl 4-[cyclopropyl-[3-(trifluoromethyl)phenyl]sulfonyl-amino]piperidine-1-carboxylate

Systemtic Name: pentyl 4-[cyclopropyl-[3-(trifluoromethyl)phenyl]sulfonyl-amino]piperidine-1-carboxylate Openeye Name: pentyl 4-[cyclopropyl-[3-(trifluoromethyl)phenyl]sulfonyl-amino]piperidine-1-carboxylate CAS Name: 4-[cyclopropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-1-piperidinecarboxylic acid pentyl ester IUPAC Name: pentyl 4-[cyclopropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidine-1-carboxylate Traditional Name: 4-[cyclopropyl-[3-(trifluoromethyl)phenyl]sulfonyl-amino]piperidine-1-carboxylic acid amyl ester Formula: C21H29F3N2O4S MolecularWeight: 462.52617

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)N1CCC(CC1)N(C2CC2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CCCCCOC(=O)N1CCC(CC1)N(C2CC2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C21H29F3N2O4S/c1-2-3-4-14-30-20(27)25-12-10-18(11-13-25)26(17-8-9-17)31(28,29)19-7-5-6-16(15-19)21(22,23)24/h5-7,15,17-18H,2-4,8-14H2,1H3