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

Systemtic Name: 7-[(4-piperidin-1-ylsulfonylphenyl)carbonylamino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid Openeye Name: 7-[[4-(1-piperidylsulfonyl)benzoyl]amino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid CAS Name: 7-[[oxo-[4-(1-piperidinylsulfonyl)phenyl]methyl]amino]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylic acid IUPAC Name: 7-[(4-piperidin-1-ylsulfonylbenzoyl)amino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid Traditional Name: 7-[(4-piperidinosulfonylbenzoyl)amino]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylic acid Formula: C22H24N2O7S MolecularWeight: 460.50016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O7S/c25-21(15-5-7-16(8-6-15)32(28,29)24-9-2-1-3-10-24)23-18-14-20-19(13-17(18)22(26)27)30-11-4-12-31-20/h5-8,13-14H,1-4,9-12H2,(H,23,25)(H,26,27)