tert-butyl N-[3-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-3-oxidanylidene-propyl]carbamate

Systemtic Name: tert-butyl N-[3-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-3-oxidanylidene-propyl]carbamate Openeye Name: tert-butyl N-[3-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-3-oxo-propyl]carbamate CAS Name: N-[3-[4-(2,5-dimethoxyphenyl)sulfonyl-1-piperazinyl]-3-oxopropyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]carbamate Traditional Name: N-[3-[4-(2,5-dimethoxyphenyl)sulfonylpiperazino]-3-keto-propyl]carbamic acid tert-butyl ester Formula: C20H31N3O7S MolecularWeight: 457.54104

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCC(=O)N1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)OC)OC

Isomeric SMILES

CC(C)(C)OC(=O)NCCC(=O)N1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)OC)OC

InChI

InChI=1S/C20H31N3O7S/c1-20(2,3)30-19(25)21-9-8-18(24)22-10-12-23(13-11-22)31(26,27)17-14-15(28-4)6-7-16(17)29-5/h6-7,14H,8-13H2,1-5H3,(H,21,25)