tert-butyl N-[4-oxidanylidene-4-[4-(phenylmethyl)sulfonylpiperazin-1-yl]butyl]carbamate

Systemtic Name: tert-butyl N-[4-oxidanylidene-4-[4-(phenylmethyl)sulfonylpiperazin-1-yl]butyl]carbamate Openeye Name: tert-butyl N-[4-(4-benzylsulfonylpiperazin-1-yl)-4-oxo-butyl]carbamate CAS Name: N-[4-oxo-4-[4-(phenylmethyl)sulfonyl-1-piperazinyl]butyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-(4-benzylsulfonylpiperazin-1-yl)-4-oxobutyl]carbamate Traditional Name: N-[4-(4-benzylsulfonylpiperazino)-4-keto-butyl]carbamic acid tert-butyl ester Formula: C20H31N3O5S MolecularWeight: 425.54224

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCC(=O)N1CCN(CC1)S(=O)(=O)CC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)NCCCC(=O)N1CCN(CC1)S(=O)(=O)CC2=CC=CC=C2

InChI

InChI=1S/C20H31N3O5S/c1-20(2,3)28-19(25)21-11-7-10-18(24)22-12-14-23(15-13-22)29(26,27)16-17-8-5-4-6-9-17/h4-6,8-9H,7,10-16H2,1-3H3,(H,21,25)