tert-butyl N-[[4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]carbonylphenyl]methyl]carbamate

Systemtic Name: tert-butyl N-[[4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]carbonylphenyl]methyl]carbamate Openeye Name: tert-butyl N-[[4-[4-(p-tolylsulfonyl)piperazine-1-carbonyl]phenyl]methyl]carbamate CAS Name: N-[[4-[[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-oxomethyl]phenyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[4-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]phenyl]methyl]carbamate Traditional Name: N-[4-(4-tosylpiperazine-1-carbonyl)benzyl]carbamic acid tert-butyl ester Formula: C24H31N3O5S MolecularWeight: 473.58504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)CNC(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)CNC(=O)OC(C)(C)C

InChI

InChI=1S/C24H31N3O5S/c1-18-5-11-21(12-6-18)33(30,31)27-15-13-26(14-16-27)22(28)20-9-7-19(8-10-20)17-25-23(29)32-24(2,3)4/h5-12H,13-17H2,1-4H3,(H,25,29)