tert-butyl N-[4-[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl]phenyl]carbamate

Systemtic Name: tert-butyl N-[4-[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl]phenyl]carbamate Openeye Name: tert-butyl N-[4-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxo-ethyl]phenyl]carbamate CAS Name: N-[4-[2-[4-(benzenesulfonyl)-1-piperazinyl]-2-oxoethyl]phenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]phenyl]carbamate Traditional Name: N-[4-[2-(4-besylpiperazino)-2-keto-ethyl]phenyl]carbamic acid tert-butyl ester Formula: C23H29N3O5S MolecularWeight: 459.55846

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC=C(C=C1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC=C(C=C1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H29N3O5S/c1-23(2,3)31-22(28)24-19-11-9-18(10-12-19)17-21(27)25-13-15-26(16-14-25)32(29,30)20-7-5-4-6-8-20/h4-12H,13-17H2,1-3H3,(H,24,28)