tert-butyl N-[3-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-3-oxidanylidene-propyl]carbamate

Systemtic Name: tert-butyl N-[3-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-3-oxidanylidene-propyl]carbamate Openeye Name: tert-butyl N-[3-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-3-oxo-propyl]carbamate CAS Name: N-[3-[4-(4-ethoxyphenyl)sulfonyl-1-piperazinyl]-3-oxopropyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]carbamate Traditional Name: N-[3-keto-3-(4-p-phenetylsulfonylpiperazino)propyl]carbamic acid tert-butyl ester Formula: C20H31N3O6S MolecularWeight: 441.54164

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCNC(=O)OC(C)(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCNC(=O)OC(C)(C)C

InChI

InChI=1S/C20H31N3O6S/c1-5-28-16-6-8-17(9-7-16)30(26,27)23-14-12-22(13-15-23)18(24)10-11-21-19(25)29-20(2,3)4/h6-9H,5,10-15H2,1-4H3,(H,21,25)