ethyl 4-[(4-ethoxy-3-piperidin-1-ylsulfonyl-phenyl)carbamoyl]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[(4-ethoxy-3-piperidin-1-ylsulfonyl-phenyl)carbamoyl]piperidine-1-carboxylate Openeye Name: ethyl 4-[[4-ethoxy-3-(1-piperidylsulfonyl)phenyl]carbamoyl]piperidine-1-carboxylate CAS Name: 4-[[4-ethoxy-3-(1-piperidinylsulfonyl)anilino]-oxomethyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)carbamoyl]piperidine-1-carboxylate Traditional Name: 4-[(4-ethoxy-3-piperidinosulfonyl-phenyl)carbamoyl]piperidine-1-carboxylic acid ethyl ester Formula: C22H33N3O6S MolecularWeight: 467.57892

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)C(=O)OCC)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)C(=O)OCC)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C22H33N3O6S/c1-3-30-19-9-8-18(16-20(19)32(28,29)25-12-6-5-7-13-25)23-21(26)17-10-14-24(15-11-17)22(27)31-4-2/h8-9,16-17H,3-7,10-15H2,1-2H3,(H,23,26)