tert-butyl N-[1-[3-(naphthalen-1-ylsulfonylmethyl)-4-nitro-phenyl]azetidin-3-yl]carbamate

Systemtic Name: tert-butyl N-[1-[3-(naphthalen-1-ylsulfonylmethyl)-4-nitro-phenyl]azetidin-3-yl]carbamate Openeye Name: tert-butyl N-[1-[3-(1-naphthylsulfonylmethyl)-4-nitro-phenyl]azetidin-3-yl]carbamate CAS Name: N-[1-[3-(1-naphthalenylsulfonylmethyl)-4-nitrophenyl]-3-azetidinyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[3-(naphthalen-1-ylsulfonylmethyl)-4-nitrophenyl]azetidin-3-yl]carbamate Traditional Name: N-[1-[3-(1-naphthylsulfonylmethyl)-4-nitro-phenyl]azetidin-3-yl]carbamic acid tert-butyl ester Formula: C25H27N3O6S MolecularWeight: 497.56338

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CN(C1)C2=CC(=C(C=C2)[N+](=O)[O-])CS(=O)(=O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

CC(C)(C)OC(=O)NC1CN(C1)C2=CC(=C(C=C2)[N+](=O)[O-])CS(=O)(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C25H27N3O6S/c1-25(2,3)34-24(29)26-19-14-27(15-19)20-11-12-22(28(30)31)18(13-20)16-35(32,33)23-10-6-8-17-7-4-5-9-21(17)23/h4-13,19H,14-16H2,1-3H3,(H,26,29)