[1-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-4-methyl-piperidin-2-yl] (2S)-2-azanyl-3-naphthalen-2-yl-propanoate

Systemtic Name: [1-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-4-methyl-piperidin-2-yl] (2S)-2-azanyl-3-naphthalen-2-yl-propanoate Openeye Name: [1-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-4-methyl-2-piperidyl] (2S)-2-amino-3-(2-naphthyl)propanoate CAS Name: (2S)-2-amino-3-(2-naphthalenyl)propanoic acid [1-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-4-methyl-2-piperidinyl] ester IUPAC Name: [1-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-4-methylpiperidin-2-yl] (2S)-2-amino-3-naphthalen-2-ylpropanoate Traditional Name: (2S)-2-amino-3-(2-naphthyl)propionic acid [1-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-4-methyl-2-piperidyl] ester Formula: C27H26F6N2O4S MolecularWeight: 588.561759

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C(C1)OC(=O)C(CC2=CC3=CC=CC=C3C=C2)N)S(=O)(=O)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CC1CCN(C(C1)OC(=O)[C@H](CC2=CC3=CC=CC=C3C=C2)N)S(=O)(=O)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C27H26F6N2O4S/c1-16-8-9-35(40(37,38)22-14-20(26(28,29)30)13-21(15-22)27(31,32)33)24(10-16)39-25(36)23(34)12-17-6-7-18-4-2-3-5-19(18)11-17/h2-7,11,13-16,23-24H,8-10,12,34H2,1H3/t16?,23-,24?/m0/s1