tert-butyl N-[[4-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]carbonylphenyl]methyl]carbamate

Systemtic Name: tert-butyl N-[[4-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]carbonylphenyl]methyl]carbamate Openeye Name: tert-butyl N-[[4-[4-[(E)-styryl]sulfonylpiperazine-1-carbonyl]phenyl]methyl]carbamate CAS Name: N-[[4-[oxo-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazinyl]methyl]phenyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[4-[4-[(E)-2-phenylethenyl]sulfonylpiperazine-1-carbonyl]phenyl]methyl]carbamate Traditional Name: N-[4-[4-[(E)-styryl]sulfonylpiperazine-1-carbonyl]benzyl]carbamic acid tert-butyl ester Formula: C25H31N3O5S MolecularWeight: 485.59574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1=CC=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)NCC1=CC=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C25H31N3O5S/c1-25(2,3)33-24(30)26-19-21-9-11-22(12-10-21)23(29)27-14-16-28(17-15-27)34(31,32)18-13-20-7-5-4-6-8-20/h4-13,18H,14-17,19H2,1-3H3,(H,26,30)/b18-13+