ethyl 4-[(4-chloranyl-3-piperidin-1-ylsulfonyl-phenyl)carbonylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[(4-chloranyl-3-piperidin-1-ylsulfonyl-phenyl)carbonylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[4-chloro-3-(1-piperidylsulfonyl)benzoyl]amino]piperidine-1-carboxylate CAS Name: 4-[[[4-chloro-3-(1-piperidinylsulfonyl)phenyl]-oxomethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-chloro-3-piperidin-1-ylsulfonylbenzoyl)amino]piperidine-1-carboxylate Traditional Name: 4-[(4-chloro-3-piperidinosulfonyl-benzoyl)amino]piperidine-1-carboxylic acid ethyl ester Formula: C20H28ClN3O5S MolecularWeight: 457.97142

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C20H28ClN3O5S/c1-2-29-20(26)23-12-8-16(9-13-23)22-19(25)15-6-7-17(21)18(14-15)30(27,28)24-10-4-3-5-11-24/h6-7,14,16H,2-5,8-13H2,1H3,(H,22,25)