tert-butyl 4-[5-[[(4-chlorophenyl)carbonylamino]methyl]thiophen-2-yl]sulfonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[5-[[(4-chlorophenyl)carbonylamino]methyl]thiophen-2-yl]sulfonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[[5-[[(4-chlorobenzoyl)amino]methyl]-2-thienyl]sulfonyl]piperazine-1-carboxylate CAS Name: 4-[[5-[[[(4-chlorophenyl)-oxomethyl]amino]methyl]-2-thiophenyl]sulfonyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[5-[[(4-chlorobenzoyl)amino]methyl]thiophen-2-yl]sulfonylpiperazine-1-carboxylate Traditional Name: 4-[[5-[[(4-chlorobenzoyl)amino]methyl]-2-thienyl]sulfonyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C21H26ClN3O5S2 MolecularWeight: 500.03124

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(S2)CNC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(S2)CNC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H26ClN3O5S2/c1-21(2,3)30-20(27)24-10-12-25(13-11-24)32(28,29)18-9-8-17(31-18)14-23-19(26)15-4-6-16(22)7-5-15/h4-9H,10-14H2,1-3H3,(H,23,26)