tert-butyl N-[[4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]carbonylphenyl]methyl]carbamate

Systemtic Name: tert-butyl N-[[4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]carbonylphenyl]methyl]carbamate Openeye Name: tert-butyl N-[[4-[4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carbonyl]phenyl]methyl]carbamate CAS Name: N-[[4-[[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]-oxomethyl]phenyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[4-[4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carbonyl]phenyl]methyl]carbamate Traditional Name: N-[4-[4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carbonyl]benzyl]carbamic acid tert-butyl ester Formula: C25H33N3O5S MolecularWeight: 487.61162

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C25H33N3O5S/c1-18-6-7-19(2)22(16-18)34(31,32)28-14-12-27(13-15-28)23(29)21-10-8-20(9-11-21)17-26-24(30)33-25(3,4)5/h6-11,16H,12-15,17H2,1-5H3,(H,26,30)