tert-butyl 4-[2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)ethanoyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)ethanoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-(5-pyrrolidin-1-ylsulfonyl-2-thienyl)acetyl]piperazine-1-carboxylate CAS Name: 4-[1-oxo-2-[5-(1-pyrrolidinylsulfonyl)-2-thiophenyl]ethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-(5-pyrrolidinosulfonyl-2-thienyl)acetyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C19H29N3O5S2 MolecularWeight: 443.58066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)CC2=CC=C(S2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)CC2=CC=C(S2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C19H29N3O5S2/c1-19(2,3)27-18(24)21-12-10-20(11-13-21)16(23)14-15-6-7-17(28-15)29(25,26)22-8-4-5-9-22/h6-7H,4-5,8-14H2,1-3H3