ethyl 4-(4-methoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-(4-methoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-(4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoyl)piperazine-1-carboxylate CAS Name: 4-[[4-methoxy-3-(1-pyrrolidinylsulfonyl)phenyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoyl)piperazine-1-carboxylate Traditional Name: 4-(4-methoxy-3-pyrrolidinosulfonyl-benzoyl)piperazine-1-carboxylic acid ethyl ester Formula: C19H27N3O6S MolecularWeight: 425.49918

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCC3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C19H27N3O6S/c1-3-28-19(24)21-12-10-20(11-13-21)18(23)15-6-7-16(27-2)17(14-15)29(25,26)22-8-4-5-9-22/h6-7,14H,3-5,8-13H2,1-2H3