7-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbonylamino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid

Systemtic Name: 7-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbonylamino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid Openeye Name: 7-[[1-(p-tolylsulfonyl)piperidine-4-carbonyl]amino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid CAS Name: 7-[[[1-(4-methylphenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylic acid IUPAC Name: 7-[[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]amino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid Traditional Name: 7-[(1-tosylisonipecotoyl)amino]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylic acid Formula: C23H26N2O7S MolecularWeight: 474.52674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC4=C(C=C3C(=O)O)OCCCO4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC4=C(C=C3C(=O)O)OCCCO4

InChI

InChI=1S/C23H26N2O7S/c1-15-3-5-17(6-4-15)33(29,30)25-9-7-16(8-10-25)22(26)24-19-14-21-20(13-18(19)23(27)28)31-11-2-12-32-21/h3-6,13-14,16H,2,7-12H2,1H3,(H,24,26)(H,27,28)