tert-butyl N-[1-[4-nitro-3-[(4-propan-2-ylphenyl)sulfonylmethyl]phenyl]piperidin-4-yl]carbamate

Systemtic Name: tert-butyl N-[1-[4-nitro-3-[(4-propan-2-ylphenyl)sulfonylmethyl]phenyl]piperidin-4-yl]carbamate Openeye Name: tert-butyl N-[1-[3-[(4-isopropylphenyl)sulfonylmethyl]-4-nitro-phenyl]-4-piperidyl]carbamate CAS Name: N-[1-[4-nitro-3-[(4-propan-2-ylphenyl)sulfonylmethyl]phenyl]-4-piperidinyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[4-nitro-3-[(4-propan-2-ylphenyl)sulfonylmethyl]phenyl]piperidin-4-yl]carbamate Traditional Name: N-[1-[4-nitro-3-(p-cumenylsulfonylmethyl)phenyl]-4-piperidyl]carbamic acid tert-butyl ester Formula: C26H35N3O6S MolecularWeight: 517.6376

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)S(=O)(=O)CC2=C(C=CC(=C2)N3CCC(CC3)NC(=O)OC(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)S(=O)(=O)CC2=C(C=CC(=C2)N3CCC(CC3)NC(=O)OC(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C26H35N3O6S/c1-18(2)19-6-9-23(10-7-19)36(33,34)17-20-16-22(8-11-24(20)29(31)32)28-14-12-21(13-15-28)27-25(30)35-26(3,4)5/h6-11,16,18,21H,12-15,17H2,1-5H3,(H,27,30)