N-[(2S)-2-(3,4-dichlorophenyl)-4-[3-(1-oxidanylidene-1,4-thiazinan-4-yl)azetidin-1-yl]butyl]-N-methyl-3,5-bis(trifluoromethyl)benzamide

Systemtic Name: N-[(2S)-2-(3,4-dichlorophenyl)-4-[3-(1-oxidanylidene-1,4-thiazinan-4-yl)azetidin-1-yl]butyl]-N-methyl-3,5-bis(trifluoromethyl)benzamide Openeye Name: N-[(2S)-2-(3,4-dichlorophenyl)-4-[3-(1-oxo-1,4-thiazinan-4-yl)azetidin-1-yl]butyl]-N-methyl-3,5-bis(trifluoromethyl)benzamide CAS Name: N-[(2S)-2-(3,4-dichlorophenyl)-4-[3-(1-oxo-1,4-thiazinan-4-yl)-1-azetidinyl]butyl]-N-methyl-3,5-bis(trifluoromethyl)benzamide IUPAC Name: N-[(2S)-2-(3,4-dichlorophenyl)-4-[3-(1-oxo-1,4-thiazinan-4-yl)azetidin-1-yl]butyl]-N-methyl-3,5-bis(trifluoromethyl)benzamide Traditional Name: N-[(2S)-2-(3,4-dichlorophenyl)-4-[3-(1-keto-1,4-thiazinan-4-yl)azetidin-1-yl]butyl]-N-methyl-3,5-bis(trifluoromethyl)benzamide Formula: C27H29Cl2F6N3O2S MolecularWeight: 644.499479

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(CCN1CC(C1)N2CCS(=O)CC2)C3=CC(=C(C=C3)Cl)Cl)C(=O)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CN(C[C@@H](CCN1CC(C1)N2CCS(=O)CC2)C3=CC(=C(C=C3)Cl)Cl)C(=O)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C27H29Cl2F6N3O2S/c1-36(25(39)19-10-20(26(30,31)32)13-21(11-19)27(33,34)35)14-18(17-2-3-23(28)24(29)12-17)4-5-37-15-22(16-37)38-6-8-41(40)9-7-38/h2-3,10-13,18,22H,4-9,14-16H2,1H3/t18-/m1/s1