3-[[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-methylsulfonyl-amino]-N-pyrimidin-2-yl-benzamide

Systemtic Name: 3-[[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-methylsulfonyl-amino]-N-pyrimidin-2-yl-benzamide Openeye Name: 3-[[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-methylsulfonyl-amino]-N-pyrimidin-2-yl-benzamide CAS Name: 3-[[1-[bis(4-chlorophenyl)methyl]-3-azetidinyl]-methylsulfonylamino]-N-(2-pyrimidinyl)benzamide IUPAC Name: 3-[[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-methylsulfonylamino]-N-pyrimidin-2-ylbenzamide Traditional Name: 3-[[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-mesyl-amino]-N-(2-pyrimidyl)benzamide Formula: C28H25Cl2N5O3S MolecularWeight: 582.5008

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(C1CN(C1)C(C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)C4=CC=CC(=C4)C(=O)NC5=NC=CC=N5

Isomeric SMILES

CS(=O)(=O)N(C1CN(C1)C(C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)C4=CC=CC(=C4)C(=O)NC5=NC=CC=N5

InChI

InChI=1S/C28H25Cl2N5O3S/c1-39(37,38)35(24-5-2-4-21(16-24)27(36)33-28-31-14-3-15-32-28)25-17-34(18-25)26(19-6-10-22(29)11-7-19)20-8-12-23(30)13-9-20/h2-16,25-26H,17-18H2,1H3,(H,31,32,33,36)