tert-butyl 4-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)phenyl]carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)phenyl]carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)benzoyl]piperazine-1-carboxylate CAS Name: 4-[[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)phenyl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)benzoyl]piperazine-1-carboxylate Traditional Name: 4-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)benzoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C23H29N3O5S2 MolecularWeight: 491.62346

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCC4=C(C3)C=CS4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCC4=C(C3)C=CS4

InChI

InChI=1S/C23H29N3O5S2/c1-23(2,3)31-22(28)25-12-10-24(11-13-25)21(27)17-5-4-6-19(15-17)33(29,30)26-9-7-20-18(16-26)8-14-32-20/h4-6,8,14-15H,7,9-13,16H2,1-3H3