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

Systemtic Name: tert-butyl N-[3-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-3-oxidanylidene-propyl]carbamate Openeye Name: tert-butyl N-[3-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-3-oxo-propyl]carbamate CAS Name: N-[3-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]-3-oxopropyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]carbamate Traditional Name: N-[3-[4-(3,4-dimethylphenyl)sulfonylpiperazino]-3-keto-propyl]carbamic acid tert-butyl ester Formula: C20H31N3O5S MolecularWeight: 425.54224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCNC(=O)OC(C)(C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCNC(=O)OC(C)(C)C)C

InChI

InChI=1S/C20H31N3O5S/c1-15-6-7-17(14-16(15)2)29(26,27)23-12-10-22(11-13-23)18(24)8-9-21-19(25)28-20(3,4)5/h6-7,14H,8-13H2,1-5H3,(H,21,25)