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

Systemtic Name: tert-butyl N-[1-[3-[(3-chlorophenyl)sulfonylmethyl]-4-nitro-phenyl]piperidin-4-yl]carbamate Openeye Name: tert-butyl N-[1-[3-[(3-chlorophenyl)sulfonylmethyl]-4-nitro-phenyl]-4-piperidyl]carbamate CAS Name: N-[1-[3-[(3-chlorophenyl)sulfonylmethyl]-4-nitrophenyl]-4-piperidinyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[3-[(3-chlorophenyl)sulfonylmethyl]-4-nitrophenyl]piperidin-4-yl]carbamate Traditional Name: N-[1-[3-[(3-chlorophenyl)sulfonylmethyl]-4-nitro-phenyl]-4-piperidyl]carbamic acid tert-butyl ester Formula: C23H28ClN3O6S MolecularWeight: 510.00292

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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(=CC=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C23H28ClN3O6S/c1-23(2,3)33-22(28)25-18-9-11-26(12-10-18)19-7-8-21(27(29)30)16(13-19)15-34(31,32)20-6-4-5-17(24)14-20/h4-8,13-14,18H,9-12,15H2,1-3H3,(H,25,28)