ethyl 1-[3-(2-oxidanylidene-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)propanoyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[3-(2-oxidanylidene-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)propanoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)propanoyl]piperidine-3-carboxylate CAS Name: 1-[1-oxo-3-[2-oxo-6-(1-pyrrolidinylsulfonyl)-1,3-benzoxazol-3-yl]propyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)propanoyl]piperidine-3-carboxylate Traditional Name: 1-[3-(2-keto-6-pyrrolidinosulfonyl-1,3-benzoxazol-3-yl)propanoyl]nipecotic acid ethyl ester Formula: C22H29N3O7S MolecularWeight: 479.54656

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)CCN2C3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)OC2=O

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)CCN2C3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)OC2=O

InChI

InChI=1S/C22H29N3O7S/c1-2-31-21(27)16-6-5-10-23(15-16)20(26)9-13-25-18-8-7-17(14-19(18)32-22(25)28)33(29,30)24-11-3-4-12-24/h7-8,14,16H,2-6,9-13,15H2,1H3