4-[[[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidin-4-yl]carbonylamino]methyl]benzoic acid

Systemtic Name: 4-[[[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidin-4-yl]carbonylamino]methyl]benzoic acid Openeye Name: 4-[[[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-4-carbonyl]amino]methyl]benzoic acid CAS Name: 4-[[[[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-piperidinyl]-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-4-carbonyl]amino]methyl]benzoic acid Traditional Name: 4-[[[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)isonipecotoyl]amino]methyl]benzoic acid Formula: C23H26N2O7S MolecularWeight: 474.52674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)NCC4=CC=C(C=C4)C(=O)O)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)NCC4=CC=C(C=C4)C(=O)O)OC1

InChI

InChI=1S/C23H26N2O7S/c26-22(24-15-16-2-4-18(5-3-16)23(27)28)17-8-10-25(11-9-17)33(29,30)19-6-7-20-21(14-19)32-13-1-12-31-20/h2-7,14,17H,1,8-13,15H2,(H,24,26)(H,27,28)