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

Systemtic Name: tert-butyl N-[1-[3-(naphthalen-1-ylsulfonylmethyl)-4-nitro-phenyl]piperidin-4-yl]carbamate Openeye Name: tert-butyl N-[1-[3-(1-naphthylsulfonylmethyl)-4-nitro-phenyl]-4-piperidyl]carbamate CAS Name: N-[1-[3-(1-naphthalenylsulfonylmethyl)-4-nitrophenyl]-4-piperidinyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[3-(naphthalen-1-ylsulfonylmethyl)-4-nitrophenyl]piperidin-4-yl]carbamate Traditional Name: N-[1-[3-(1-naphthylsulfonylmethyl)-4-nitro-phenyl]-4-piperidyl]carbamic acid tert-butyl ester Formula: C27H31N3O6S MolecularWeight: 525.61654

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])CS(=O)(=O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

CC(C)(C)OC(=O)NC1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])CS(=O)(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C27H31N3O6S/c1-27(2,3)36-26(31)28-21-13-15-29(16-14-21)22-11-12-24(30(32)33)20(17-22)18-37(34,35)25-10-6-8-19-7-4-5-9-23(19)25/h4-12,17,21H,13-16,18H2,1-3H3,(H,28,31)