4-[(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)carbonylamino]butanoic acid

Systemtic Name: 4-[(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)carbonylamino]butanoic acid Openeye Name: 4-[[2-chloro-5-(1-piperidylsulfonyl)benzoyl]amino]butanoic acid CAS Name: 4-[[[2-chloro-5-(1-piperidinylsulfonyl)phenyl]-oxomethyl]amino]butanoic acid IUPAC Name: 4-[(2-chloro-5-piperidin-1-ylsulfonylbenzoyl)amino]butanoic acid Traditional Name: 4-[(2-chloro-5-piperidinosulfonyl-benzoyl)amino]butyric acid Formula: C16H21ClN2O5S MolecularWeight: 388.86634

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NCCCC(=O)O

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NCCCC(=O)O

InChI

InChI=1S/C16H21ClN2O5S/c17-14-7-6-12(25(23,24)19-9-2-1-3-10-19)11-13(14)16(22)18-8-4-5-15(20)21/h6-7,11H,1-5,8-10H2,(H,18,22)(H,20,21)