7-[(4-chloranyl-3-piperidin-1-ylsulfonyl-phenyl)carbonylamino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid

Systemtic Name: 7-[(4-chloranyl-3-piperidin-1-ylsulfonyl-phenyl)carbonylamino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid Openeye Name: 7-[[4-chloro-3-(1-piperidylsulfonyl)benzoyl]amino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid CAS Name: 7-[[[4-chloro-3-(1-piperidinylsulfonyl)phenyl]-oxomethyl]amino]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylic acid IUPAC Name: 7-[(4-chloro-3-piperidin-1-ylsulfonylbenzoyl)amino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid Traditional Name: 7-[(4-chloro-3-piperidinosulfonyl-benzoyl)amino]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylic acid Formula: C22H23ClN2O7S MolecularWeight: 494.94522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC4=C(C=C3C(=O)O)OCCCO4)Cl

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC4=C(C=C3C(=O)O)OCCCO4)Cl

InChI

InChI=1S/C22H23ClN2O7S/c23-16-6-5-14(11-20(16)33(29,30)25-7-2-1-3-8-25)21(26)24-17-13-19-18(12-15(17)22(27)28)31-9-4-10-32-19/h5-6,11-13H,1-4,7-10H2,(H,24,26)(H,27,28)