ethyl 4-(3-pyrrolidin-1-ylsulfonylphenyl)carbonylthiomorpholine-3-carboxylate

Systemtic Name: ethyl 4-(3-pyrrolidin-1-ylsulfonylphenyl)carbonylthiomorpholine-3-carboxylate Openeye Name: ethyl 4-(3-pyrrolidin-1-ylsulfonylbenzoyl)thiomorpholine-3-carboxylate CAS Name: 4-[oxo-[3-(1-pyrrolidinylsulfonyl)phenyl]methyl]-3-thiomorpholinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-pyrrolidin-1-ylsulfonylbenzoyl)thiomorpholine-3-carboxylate Traditional Name: 4-(3-pyrrolidinosulfonylbenzoyl)thiomorpholine-3-carboxylic acid ethyl ester Formula: C18H24N2O5S2 MolecularWeight: 412.52356

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CSCCN1C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CCOC(=O)C1CSCCN1C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C18H24N2O5S2/c1-2-25-18(22)16-13-26-11-10-20(16)17(21)14-6-5-7-15(12-14)27(23,24)19-8-3-4-9-19/h5-7,12,16H,2-4,8-11,13H2,1H3