N-ethyl-N-[1-(phenylmethyl)pyrrolidin-3-yl]-3,5-bis(trifluoromethyl)benzenesulfonamide

Systemtic Name: N-ethyl-N-[1-(phenylmethyl)pyrrolidin-3-yl]-3,5-bis(trifluoromethyl)benzenesulfonamide Openeye Name: N-(1-benzylpyrrolidin-3-yl)-N-ethyl-3,5-bis(trifluoromethyl)benzenesulfonamide CAS Name: N-ethyl-N-[1-(phenylmethyl)-3-pyrrolidinyl]-3,5-bis(trifluoromethyl)benzenesulfonamide IUPAC Name: N-(1-benzylpyrrolidin-3-yl)-N-ethyl-3,5-bis(trifluoromethyl)benzenesulfonamide Traditional Name: N-(1-benzylpyrrolidin-3-yl)-N-ethyl-3,5-bis(trifluoromethyl)benzenesulfonamide Formula: C21H22F6N2O2S MolecularWeight: 480.466999

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1CCN(C1)CC2=CC=CC=C2)S(=O)(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CCN(C1CCN(C1)CC2=CC=CC=C2)S(=O)(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C21H22F6N2O2S/c1-2-29(18-8-9-28(14-18)13-15-6-4-3-5-7-15)32(30,31)19-11-16(20(22,23)24)10-17(12-19)21(25,26)27/h3-7,10-12,18H,2,8-9,13-14H2,1H3