N-[[1-[bis(4-chlorophenyl)methyl]-3-[[3,5-bis(fluoranyl)phenyl]-methylsulfonyl-methyl]azetidin-3-yl]methyl]-1-cyclopropyl-ethanamine

Systemtic Name: N-[[1-[bis(4-chlorophenyl)methyl]-3-[[3,5-bis(fluoranyl)phenyl]-methylsulfonyl-methyl]azetidin-3-yl]methyl]-1-cyclopropyl-ethanamine Openeye Name: N-[[1-[bis(4-chlorophenyl)methyl]-3-[(3,5-difluorophenyl)-methylsulfonyl-methyl]azetidin-3-yl]methyl]-1-cyclopropyl-ethanamine CAS Name: N-[[1-[bis(4-chlorophenyl)methyl]-3-[(3,5-difluorophenyl)-methylsulfonylmethyl]-3-azetidinyl]methyl]-1-cyclopropylethanamine IUPAC Name: N-[[1-[bis(4-chlorophenyl)methyl]-3-[(3,5-difluorophenyl)-methylsulfonylmethyl]azetidin-3-yl]methyl]-1-cyclopropylethanamine Traditional Name: [1-[bis(4-chlorophenyl)methyl]-3-[(3,5-difluorophenyl)-mesyl-methyl]azetidin-3-yl]methyl-(1-cyclopropylethyl)amine Formula: C30H32Cl2F2N2O2S MolecularWeight: 593.555086

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CC1)NCC2(CN(C2)C(C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl)C(C5=CC(=CC(=C5)F)F)S(=O)(=O)C

Isomeric SMILES

CC(C1CC1)NCC2(CN(C2)C(C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl)C(C5=CC(=CC(=C5)F)F)S(=O)(=O)C

InChI

InChI=1S/C30H32Cl2F2N2O2S/c1-19(20-3-4-20)35-16-30(29(39(2,37)38)23-13-26(33)15-27(34)14-23)17-36(18-30)28(21-5-9-24(31)10-6-21)22-7-11-25(32)12-8-22/h5-15,19-20,28-29,35H,3-4,16-18H2,1-2H3