tert-butyl 4-[[4-(5-ethenylthiophen-2-yl)sulfonyl-2-oxidanylidene-piperazin-1-yl]methyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[4-(5-ethenylthiophen-2-yl)sulfonyl-2-oxidanylidene-piperazin-1-yl]methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[2-oxo-4-[(5-vinyl-2-thienyl)sulfonyl]piperazin-1-yl]methyl]piperidine-1-carboxylate CAS Name: 4-[[4-[(5-ethenyl-2-thiophenyl)sulfonyl]-2-oxo-1-piperazinyl]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[4-(5-ethenylthiophen-2-yl)sulfonyl-2-oxopiperazin-1-yl]methyl]piperidine-1-carboxylate Traditional Name: 4-[[2-keto-4-[(5-vinyl-2-thienyl)sulfonyl]piperazino]methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C21H31N3O5S2 MolecularWeight: 469.61794

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)CN2CCN(CC2=O)S(=O)(=O)C3=CC=C(S3)C=C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CN2CCN(CC2=O)S(=O)(=O)C3=CC=C(S3)C=C

InChI

InChI=1S/C21H31N3O5S2/c1-5-17-6-7-19(30-17)31(27,28)24-13-12-23(18(25)15-24)14-16-8-10-22(11-9-16)20(26)29-21(2,3)4/h5-7,16H,1,8-15H2,2-4H3