tert-butyl 4-[[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-methylsulfonyl-amino]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-methylsulfonyl-amino]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-methylsulfonyl-amino]piperidine-1-carboxylate CAS Name: 4-[[1-[bis(4-chlorophenyl)methyl]-3-azetidinyl]-methylsulfonylamino]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-methylsulfonylamino]piperidine-1-carboxylate Traditional Name: 4-[[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-mesyl-amino]piperidine-1-carboxylic acid tert-butyl ester Formula: C27H35Cl2N3O4S MolecularWeight: 568.5555

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)N(C2CN(C2)C(C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl)S(=O)(=O)C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)N(C2CN(C2)C(C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl)S(=O)(=O)C

InChI

InChI=1S/C27H35Cl2N3O4S/c1-27(2,3)36-26(33)30-15-13-23(14-16-30)32(37(4,34)35)24-17-31(18-24)25(19-5-9-21(28)10-6-19)20-7-11-22(29)12-8-20/h5-12,23-25H,13-18H2,1-4H3