tert-butyl 4-[(5-chloranyl-1-benzothiophen-2-yl)sulfonyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[(5-chloranyl-1-benzothiophen-2-yl)sulfonyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-(5-chlorobenzothiophen-2-yl)sulfonylpiperazine-1-carboxylate CAS Name: 4-[(5-chloro-1-benzothiophen-2-yl)sulfonyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(5-chloro-1-benzothiophen-2-yl)sulfonyl]piperazine-1-carboxylate Traditional Name: 4-(5-chlorobenzothiophen-2-yl)sulfonylpiperazine-1-carboxylic acid tert-butyl ester Formula: C17H21ClN2O4S2 MolecularWeight: 416.94264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)C2=CC3=C(S2)C=CC(=C3)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)C2=CC3=C(S2)C=CC(=C3)Cl

InChI

InChI=1S/C17H21ClN2O4S2/c1-17(2,3)24-16(21)19-6-8-20(9-7-19)26(22,23)15-11-12-10-13(18)4-5-14(12)25-15/h4-5,10-11H,6-9H2,1-3H3