tert-butyl N-[1-[3-[(4-methylnaphthalen-1-yl)sulfonylmethyl]-4-nitro-phenyl]piperidin-4-yl]carbamate

Systemtic Name: tert-butyl N-[1-[3-[(4-methylnaphthalen-1-yl)sulfonylmethyl]-4-nitro-phenyl]piperidin-4-yl]carbamate Openeye Name: tert-butyl N-[1-[3-[(4-methyl-1-naphthyl)sulfonylmethyl]-4-nitro-phenyl]-4-piperidyl]carbamate CAS Name: N-[1-[3-[(4-methyl-1-naphthalenyl)sulfonylmethyl]-4-nitrophenyl]-4-piperidinyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[3-[(4-methylnaphthalen-1-yl)sulfonylmethyl]-4-nitrophenyl]piperidin-4-yl]carbamate Traditional Name: N-[1-[3-[(4-methyl-1-naphthyl)sulfonylmethyl]-4-nitro-phenyl]-4-piperidyl]carbamic acid tert-butyl ester Formula: C28H33N3O6S MolecularWeight: 539.64312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C2=CC=CC=C12)S(=O)(=O)CC3=C(C=CC(=C3)N4CCC(CC4)NC(=O)OC(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C2=CC=CC=C12)S(=O)(=O)CC3=C(C=CC(=C3)N4CCC(CC4)NC(=O)OC(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C28H33N3O6S/c1-19-9-12-26(24-8-6-5-7-23(19)24)38(35,36)18-20-17-22(10-11-25(20)31(33)34)30-15-13-21(14-16-30)29-27(32)37-28(2,3)4/h5-12,17,21H,13-16,18H2,1-4H3,(H,29,32)